4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine

C14H25N3 — CID 115580373

IUPAC4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CC(N)CCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-17-10-9-16-14(17)11-13(15)8-7-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11,15H2,1H3
InChIKeyISRVUWSFMMQWEI-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.65
Rot. Bonds5

About 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine

4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 115580373) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID115580373
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CC(N)CCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-17-10-9-16-14(17)11-13(15)8-7-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11,15H2,1H3
InChIKeyISRVUWSFMMQWEI-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-cyclopentyl-1-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105322962
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine (CID 115580373) is 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine is Cn1ccnc1CC(N)CCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is ISRVUWSFMMQWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-17-10-9-16-14(17)11-13(15)8-7-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11,15H2,1H3.
What are the key properties of 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine?
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 115580373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).