1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C12H22N4 — CID 78920886

IUPAC1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnc[nH]2)CCCC1
InChIInChI=1S/C12H22N4/c1-16(2)12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyMOXWKODOFCXCLO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.37
Rot. Bonds5

About 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 78920886) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID78920886
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnc[nH]2)CCCC1
InChIInChI=1S/C12H22N4/c1-16(2)12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyMOXWKODOFCXCLO-UHFFFAOYSA-N
XLogP1.37
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 78920904
N,N-dimethyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 86808426
1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78975086

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 78920886) is 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2cnc[nH]2)CCCC1.
What is the InChIKey of 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is MOXWKODOFCXCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16(2)12(5-3-4-6-12)9-13-7-11-8-14-10-15-11/h8,10,13H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 78920886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).