N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine

C14H30N2 — CID 115712049

IUPACN-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1CCN(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-13(3)15-11-14-8-10-16(12-14)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQJMMIEYNQPWKHP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine

N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine (PubChem CID 115712049) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
PubChem CID115712049
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1CCN(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-13(3)15-11-14-8-10-16(12-14)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQJMMIEYNQPWKHP-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-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

N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 115905500
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine (CID 115712049) is N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine is CCCCC(C)NCC1CCN(CCC)C1.
What is the InChIKey of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine?
The InChIKey is QJMMIEYNQPWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-7-13(3)15-11-14-8-10-16(12-14)9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine?
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115712049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).