N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine

C12H22N4 — CID 107501214

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2cn(CCN)cn2)C1
InChIInChI=1S/C12H22N4/c1-10-2-3-11(6-10)14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,2-7,13H2,1H3
InChIKeyUVNVDWXFWKUZIQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.12
Rot. Bonds5

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine (PubChem CID 107501214) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
PubChem CID107501214
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2cn(CCN)cn2)C1
InChIInChI=1S/C12H22N4/c1-10-2-3-11(6-10)14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,2-7,13H2,1H3
InChIKeyUVNVDWXFWKUZIQ-UHFFFAOYSA-N
XLogP1.12
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096334
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
2-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107501201
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
CID 107501173
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine (CID 107501214) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine is CC1CCC(NCc2cn(CCN)cn2)C1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine?
The InChIKey is UVNVDWXFWKUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-2-3-11(6-10)14-7-12-8-16(5-4-13)9-15-12/h8-11,14H,2-7,13H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 107501214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).