(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine

C13H23N3 — CID 82896494

IUPAC(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine
SMILESCCC1CCCCC1C(N)c1cncn1C
InChIInChI=1S/C13H23N3/c1-3-10-6-4-5-7-11(10)13(14)12-8-15-9-16(12)2/h8-11,13H,3-7,14H2,1-2H3
InChIKeyAUBXDSBSCQKVGC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.64
Rot. Bonds3

About (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine

(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 82896494) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine
PubChem CID82896494
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine
SMILESCCC1CCCCC1C(N)c1cncn1C
InChIInChI=1S/C13H23N3/c1-3-10-6-4-5-7-11(10)13(14)12-8-15-9-16(12)2/h8-11,13H,3-7,14H2,1-2H3
InChIKeyAUBXDSBSCQKVGC-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105151143
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
cyclopentyl-(3-methylimidazol-4-yl)methanol
CID 66118415
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine (CID 82896494) is (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine is CCC1CCCCC1C(N)c1cncn1C.
What is the InChIKey of (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine?
The InChIKey is AUBXDSBSCQKVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10-6-4-5-7-11(10)13(14)12-8-15-9-16(12)2/h8-11,13H,3-7,14H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine?
(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 82896494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).