(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

C104H222N10 — CID 157426798

IUPAC(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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.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.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H25N.5C11H23N.2C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;2*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;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;11-;;;;9-;;/m...1...0../s1
InChIKeyBQBAHKBUFOJNTA-JKXDJTCISA-N
MW1612.99 g/mol
LogP26.45
Rot. Bonds24

About (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

(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 (PubChem CID 157426798) has the molecular formula C104H222N10 and a molecular weight of 1612.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157426798
Molecular FormulaC104H222N10
Molecular Weight1612.99 g/mol
Exact Mass1611.77
IUPAC Name(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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.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.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H25N.5C11H23N.2C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;2*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;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;11-;;;;9-;;/m...1...0../s1
InChIKeyBQBAHKBUFOJNTA-JKXDJTCISA-N
XLogP26.45
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.99
LogP ≤ 526.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.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.C[C@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of (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?
The InChIKey is BQBAHKBUFOJNTA-JKXDJTCISA-N. The full InChI is InChI=1S/C12H25N.5C11H23N.2C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;2*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;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;11-;;;;9-;;/m...1...0../s1.
What are the key properties of (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?
(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 has a molecular weight of 1612.99 g/mol, XLogP of 26.45, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157426798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).