N-(2-piperidin-1-ylpropyl)octan-1-amine

C16H34N2 — CID 63452848

IUPACN-(2-piperidin-1-ylpropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-5-6-7-9-12-17-15-16(2)18-13-10-8-11-14-18/h16-17H,3-15H2,1-2H3
InChIKeyVPWRCCFLVUVEAZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds10

About N-(2-piperidin-1-ylpropyl)octan-1-amine

N-(2-piperidin-1-ylpropyl)octan-1-amine (PubChem CID 63452848) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)octan-1-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)octan-1-amine
PubChem CID63452848
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(2-piperidin-1-ylpropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-5-6-7-9-12-17-15-16(2)18-13-10-8-11-14-18/h16-17H,3-15H2,1-2H3
InChIKeyVPWRCCFLVUVEAZ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)propyl]pentan-1-amine
CID 107459676
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
1-dodecan-2-ylpyrrolidine
CID 70871228

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)octan-1-amine?
The IUPAC name of N-(2-piperidin-1-ylpropyl)octan-1-amine (CID 63452848) is N-(2-piperidin-1-ylpropyl)octan-1-amine.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)octan-1-amine?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)octan-1-amine is CCCCCCCCNCC(C)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)octan-1-amine?
The InChIKey is VPWRCCFLVUVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-4-5-6-7-9-12-17-15-16(2)18-13-10-8-11-14-18/h16-17H,3-15H2,1-2H3.
What are the key properties of N-(2-piperidin-1-ylpropyl)octan-1-amine?
N-(2-piperidin-1-ylpropyl)octan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)octan-1-amine is sourced from PubChem (CID 63452848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).