1-(1-octylpyrrolidin-3-yl)piperidin-4-amine

C17H35N3 — CID 80553977

IUPAC1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
SMILESCCCCCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C17H35N3/c1-2-3-4-5-6-7-11-19-12-10-17(15-19)20-13-8-16(18)9-14-20/h16-17H,2-15,18H2,1H3
InChIKeyHXNIPKVIVADEBP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds8

About 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine

1-(1-octylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80553977) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80553977
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
SMILESCCCCCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C17H35N3/c1-2-3-4-5-6-7-11-19-12-10-17(15-19)20-13-8-16(18)9-14-20/h16-17H,2-15,18H2,1H3
InChIKeyHXNIPKVIVADEBP-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-octylpyrrolidin-3-yl)piperidin-4-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

(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
CID 107008057
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
ethane;1-pentylpiperidin-4-amine
CID 142516102
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769

Frequently Asked Questions

What is the IUPAC name of 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine (CID 80553977) is 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine is CCCCCCCCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is HXNIPKVIVADEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-2-3-4-5-6-7-11-19-12-10-17(15-19)20-13-8-16(18)9-14-20/h16-17H,2-15,18H2,1H3.
What are the key properties of 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80553977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).