N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine

C12H21N3 — CID 71851037

IUPACN-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESCCC1(CNCc2ncc[nH]2)CCCC1
InChIInChI=1S/C12H21N3/c1-2-12(5-3-4-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyGITOKCHQWNZVHM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds5

About N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine

N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine (PubChem CID 71851037) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine
PubChem CID71851037
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESCCC1(CNCc2ncc[nH]2)CCCC1
InChIInChI=1S/C12H21N3/c1-2-12(5-3-4-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyGITOKCHQWNZVHM-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine (CID 71851037) is N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine is CCC1(CNCc2ncc[nH]2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The InChIKey is GITOKCHQWNZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-12(5-3-4-6-12)10-13-9-11-14-7-8-15-11/h7-8,13H,2-6,9-10H2,1H3,(H,14,15).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 71851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).