N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine

C12H21N3 — CID 62223232

IUPACN-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)CCn1ccnc1CNC1CC1
InChIInChI=1S/C12H21N3/c1-10(2)5-7-15-8-6-13-12(15)9-14-11-3-4-11/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyCPZKPTKPPVQKPP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds6

About N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine

N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 62223232) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
PubChem CID62223232
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)CCn1ccnc1CNC1CC1
InChIInChI=1S/C12H21N3/c1-10(2)5-7-15-8-6-13-12(15)9-14-11-3-4-11/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyCPZKPTKPPVQKPP-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-methylbutyl)imidazol-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-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
CID 55048665
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine (CID 62223232) is N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine is CC(C)CCn1ccnc1CNC1CC1.
What is the InChIKey of N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CPZKPTKPPVQKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)5-7-15-8-6-13-12(15)9-14-11-3-4-11/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62223232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).