2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol

C15H27N3O — CID 81413072

IUPAC2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCC1n1ccnc1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2,11-19)10-17-13-6-5-7-14(13)18-9-8-16-12-18/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3
InChIKeyQZJRGMNCYZGSIS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.37
Rot. Bonds7

About 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol (PubChem CID 81413072) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol
PubChem CID81413072
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCC1n1ccnc1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2,11-19)10-17-13-6-5-7-14(13)18-9-8-16-12-18/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3
InChIKeyQZJRGMNCYZGSIS-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
CID 43734275
cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
CID 165456995
N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 55231874
2-imidazol-1-yl-N-pentan-2-ylcyclopentan-1-amine
CID 43734394
N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 62345276
N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 55062118
2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 63051722
2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 66398331
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
CID 116501076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol (CID 81413072) is 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCC1n1ccnc1.
What is the InChIKey of 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol?
The InChIKey is QZJRGMNCYZGSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(4-2,11-19)10-17-13-6-5-7-14(13)18-9-8-16-12-18/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81413072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).