1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine

C13H23N3 — CID 81026716

IUPAC1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCn1ccnc1C1CCCCC1CNC
InChIInChI=1S/C13H23N3/c1-3-16-9-8-15-13(16)12-7-5-4-6-11(12)10-14-2/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyGRWOFAZBSFQAIN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine

1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81026716) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81026716
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCn1ccnc1C1CCCCC1CNC
InChIInChI=1S/C13H23N3/c1-3-16-9-8-15-13(16)12-7-5-4-6-11(12)10-14-2/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyGRWOFAZBSFQAIN-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81027726
N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025106
2-(1-ethylimidazol-2-yl)cycloheptan-1-amine
CID 63968778
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81023933
N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81029967
N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81030073
2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81024634
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
CID 64908834
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81028406
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
CID 81026451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine (CID 81026716) is 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine is CCn1ccnc1C1CCCCC1CNC.
What is the InChIKey of 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is GRWOFAZBSFQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-16-9-8-15-13(16)12-7-5-4-6-11(12)10-14-2/h8-9,11-12,14H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine?
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81026716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).