(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C105H227N11 — CID 158722154

IUPAC(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC.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)NN1CCC(C(C)C)CC1.CC(C)[C@@H]1CCCN(C(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C8H19N.C2H6/c1-9(2)11-5-7-13(8-6-11)12-10(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;1-2/h9-12H,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;1-2H3/t;;;11-;;;;9-;;;/m...1...0.../s1
InChIKeyIKAYMUNIEHMZDX-BMJKMWKNSA-N
MW1644.05 g/mol
LogP26.54
Rot. Bonds24

About (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 158722154) has the molecular formula C105H227N11 and a molecular weight of 1644.05 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)piperidin-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;ethane;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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
PubChem CID158722154
Molecular FormulaC105H227N11
Molecular Weight1644.05 g/mol
Exact Mass1642.81
IUPAC Name(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC.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)NN1CCC(C(C)C)CC1.CC(C)[C@@H]1CCCN(C(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C8H19N.C2H6/c1-9(2)11-5-7-13(8-6-11)12-10(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;1-2/h9-12H,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;1-2H3/t;;;11-;;;;9-;;;/m...1...0.../s1
InChIKeyIKAYMUNIEHMZDX-BMJKMWKNSA-N
XLogP26.54
TPSA53.22 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.05
LogP ≤ 526.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;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)piperidin-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;ethane;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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 158722154) is (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-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;ethane;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)piperidin-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;ethane;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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC.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)NN1CCC(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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The InChIKey is IKAYMUNIEHMZDX-BMJKMWKNSA-N. The full InChI is InChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C8H19N.C2H6/c1-9(2)11-5-7-13(8-6-11)12-10(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;1-2/h9-12H,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;1-2H3/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)piperidin-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;ethane;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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1644.05 g/mol, XLogP of 26.54, 24 rotatable bonds, 2 hydrogen bond donors, and 11 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)piperidin-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158722154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).