N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

C13H23N3 — CID 64910386

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCn1ccnc1CNC1CCC(C)C1C
InChIInChI=1S/C13H23N3/c1-4-16-8-7-14-13(16)9-15-12-6-5-10(2)11(12)3/h7-8,10-12,15H,4-6,9H2,1-3H3
InChIKeyLATUEPDWBCRTLC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.43
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64910386) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64910386
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCn1ccnc1CNC1CCC(C)C1C
InChIInChI=1S/C13H23N3/c1-4-16-8-7-14-13(16)9-15-12-6-5-10(2)11(12)3/h7-8,10-12,15H,4-6,9H2,1-3H3
InChIKeyLATUEPDWBCRTLC-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
(3S,4S)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780701
(3S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780700
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 71927317
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
N-cyclopentyloxy-1-(1-ethylimidazol-2-yl)methanamine
CID 83229115
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64910386) is N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine is CCn1ccnc1CNC1CCC(C)C1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is LATUEPDWBCRTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-8-7-14-13(16)9-15-12-6-5-10(2)11(12)3/h7-8,10-12,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.43, 4 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)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).