(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine

C85H182N8 — CID 158644014

IUPAC(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)(C)[C@H]1CCCN(C(C)(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1.CC(C)[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C13H27N.C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h11H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-;;;11-;;;;/m0..1..../s1
InChIKeyIASWVUKNOLRWSU-OHGWDDSWSA-N
MW1316.45 g/mol
LogP21.81
Rot. Bonds19

About (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine

(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 158644014) has the molecular formula C85H182N8 and a molecular weight of 1316.45 g/mol. Its IUPAC name is (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID158644014
Molecular FormulaC85H182N8
Molecular Weight1316.45 g/mol
Exact Mass1315.45
IUPAC Name(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)(C)[C@H]1CCCN(C(C)(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1.CC(C)[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C13H27N.C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h11H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-;;;11-;;;;/m0..1..../s1
InChIKeyIASWVUKNOLRWSU-OHGWDDSWSA-N
XLogP21.81
TPSA43.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001316.45
LogP ≤ 521.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

[3-(Aminomethyl)-1,2,2,3-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]methanamine
CID 20494014
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157084667
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine
CID 157231117
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157259153
Bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
CID 157401925
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157426798
1-Tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;methane
CID 157615659
(3R,5S)-3,5-diethyl-1-(5-methylhexyl)piperidine;(3R,5S)-3,5-dimethyl-1-(5-methylhexyl)piperidine;4-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine;1-(5-methylhexyl)-3-(2-methylpropyl)piperidine;1-(5-methylhexyl)-3-propan-2-ylpiperidine;3-methyl-1-(5-methylhexyl)piperidine;3,3,5,5-tetramethyl-1-(5-methylhexyl)piperidine
CID 157720755

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (CID 158644014) is (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is CC(C)(C)[C@H]1CCCN(C(C)(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1.CC(C)[C@@H]1CCCN(C(C)C)C1.
What is the InChIKey of (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is IASWVUKNOLRWSU-OHGWDDSWSA-N. The full InChI is InChI=1S/C13H27N.C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h11H,7-10H2,1-6H3;9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-;;;11-;;;;/m0..1..../s1.
What are the key properties of (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 1316.45 g/mol, XLogP of 21.81, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 158644014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).