N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine

C15H27N3 — CID 55048995

IUPACN-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCCCCCCn1ccnc1CNC1CC1
InChIInChI=1S/C15H27N3/c1-2-3-4-5-6-7-11-18-12-10-16-15(18)13-17-14-8-9-14/h10,12,14,17H,2-9,11,13H2,1H3
InChIKeyGBUTUOUOULXNJM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.50
Rot. Bonds10

About N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine

N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 55048995) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID55048995
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCCCCCCn1ccnc1CNC1CC1
InChIInChI=1S/C15H27N3/c1-2-3-4-5-6-7-11-18-12-10-16-15(18)13-17-14-8-9-14/h10,12,14,17H,2-9,11,13H2,1H3
InChIKeyGBUTUOUOULXNJM-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine 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-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452

Frequently Asked Questions

What is the IUPAC name of N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine (CID 55048995) is N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine is CCCCCCCCn1ccnc1CNC1CC1.
What is the InChIKey of N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is GBUTUOUOULXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-3-4-5-6-7-11-18-12-10-16-15(18)13-17-14-8-9-14/h10,12,14,17H,2-9,11,13H2,1H3.
What are the key properties of N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine?
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55048995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).