N-hexyl-1-methylpyrrolidin-3-amine

C11H24N2 — CID 61462127

IUPACN-hexyl-1-methylpyrrolidin-3-amine
SMILESCCCCCCNC1CCN(C)C1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-8-12-11-7-9-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyCJWKFLFRIVLCLV-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds6

About N-hexyl-1-methylpyrrolidin-3-amine

N-hexyl-1-methylpyrrolidin-3-amine (PubChem CID 61462127) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-hexyl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-hexyl-1-methylpyrrolidin-3-amine
PubChem CID61462127
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-hexyl-1-methylpyrrolidin-3-amine
SMILESCCCCCCNC1CCN(C)C1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-8-12-11-7-9-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyCJWKFLFRIVLCLV-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-1-methylpyrrolidin-3-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)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-[3-(propylamino)pyrrolidin-1-yl]sulfanylpyrrolidin-3-amine
CID 167067670
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
5-(hexylamino)-1-methylpiperidin-2-one
CID 64654704
N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
CID 63892267

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-methylpyrrolidin-3-amine?
The IUPAC name of N-hexyl-1-methylpyrrolidin-3-amine (CID 61462127) is N-hexyl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-hexyl-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-hexyl-1-methylpyrrolidin-3-amine is CCCCCCNC1CCN(C)C1.
What is the InChIKey of N-hexyl-1-methylpyrrolidin-3-amine?
The InChIKey is CJWKFLFRIVLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-5-6-8-12-11-7-9-13(2)10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-hexyl-1-methylpyrrolidin-3-amine?
N-hexyl-1-methylpyrrolidin-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61462127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).