N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine

C18H38N2 — CID 115566698

IUPACN-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)C1CCN(CCC)CC1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-13-19-17(3)18-11-15-20(14-5-2)16-12-18/h17-19H,4-16H2,1-3H3
InChIKeySFRYTIXYRPVVLE-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds11

About N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine

N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine (PubChem CID 115566698) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
PubChem CID115566698
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)C1CCN(CCC)CC1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-13-19-17(3)18-11-15-20(14-5-2)16-12-18/h17-19H,4-16H2,1-3H3
InChIKeySFRYTIXYRPVVLE-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The IUPAC name of N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine (CID 115566698) is N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine.
What is the SMILES notation for N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The canonical SMILES for N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine is CCCCCCCCNC(C)C1CCN(CCC)CC1.
What is the InChIKey of N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The InChIKey is SFRYTIXYRPVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-6-7-8-9-10-13-19-17(3)18-11-15-20(14-5-2)16-12-18/h17-19H,4-16H2,1-3H3.
What are the key properties of N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine is sourced from PubChem (CID 115566698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).