[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine

C11H19N3 — CID 130002884

IUPAC[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
SMILESCn1ccnc1C1CCC(CN)CC1
InChIInChI=1S/C11H19N3/c1-14-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyQURVFRDNYGRPCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.65
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine

[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 130002884) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
PubChem CID130002884
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
SMILESCn1ccnc1C1CCC(CN)CC1
InChIInChI=1S/C11H19N3/c1-14-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyQURVFRDNYGRPCH-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-methylimidazole
CID 83382106
cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 95367642
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
1-methyl-2-(3-methylcyclohexyl)imidazole
CID 66875294
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine (CID 130002884) is [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine is Cn1ccnc1C1CCC(CN)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is QURVFRDNYGRPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h6-7,9-10H,2-5,8,12H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine?
[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 130002884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).