N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

C15H27N3 — CID 115860210

IUPACN-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CC)C1(C)CCCC1
InChIInChI=1S/C15H27N3/c1-4-10-16-13(15(3)8-6-7-9-15)14-17-11-12-18(14)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyQMBFAJBUZZIEPH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 115860210) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
PubChem CID115860210
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CC)C1(C)CCCC1
InChIInChI=1S/C15H27N3/c1-4-10-16-13(15(3)8-6-7-9-15)14-17-11-12-18(14)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyQMBFAJBUZZIEPH-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
1-(1-ethylcyclopentyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 115858981
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944
N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831292
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
N-[(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 61314827
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (CID 115860210) is N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1nccn1CC)C1(C)CCCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is QMBFAJBUZZIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-10-16-13(15(3)8-6-7-9-15)14-17-11-12-18(14)5-2/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 115860210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).