N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine

C19H38N2 — CID 83997744

IUPACN-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(CC(C)(C)C)CC(NCC2CCCC2)C1
InChIInChI=1S/C19H38N2/c1-15(2)21-13-17(11-19(3,4)5)10-18(14-21)20-12-16-8-6-7-9-16/h15-18,20H,6-14H2,1-5H3
InChIKeyIRRVVKTUPHMJLZ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds5

About N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine

N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 83997744) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID83997744
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(CC(C)(C)C)CC(NCC2CCCC2)C1
InChIInChI=1S/C19H38N2/c1-15(2)21-13-17(11-19(3,4)5)10-18(14-21)20-12-16-8-6-7-9-16/h15-18,20H,6-14H2,1-5H3
InChIKeyIRRVVKTUPHMJLZ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83998440
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
N-(cyclopentylmethyl)-1-(1-cyclopropylpropyl)-5-propylpiperidin-3-amine
CID 83998092

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine (CID 83997744) is N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC(CC(C)(C)C)CC(NCC2CCCC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is IRRVVKTUPHMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(2)21-13-17(11-19(3,4)5)10-18(14-21)20-12-16-8-6-7-9-16/h15-18,20H,6-14H2,1-5H3.
What are the key properties of N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83997744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).