3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 66117502

IUPAC3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2cncn2C)CC1C
InChIInChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)15-8-13-7-14-9-16(13)3/h7,9-12,15H,4-6,8H2,1-3H3
InChIKeyYUPKGADQYXSQDR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.33
Rot. Bonds3

About 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 66117502) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID66117502
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2cncn2C)CC1C
InChIInChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)15-8-13-7-14-9-16(13)3/h7,9-12,15H,4-6,8H2,1-3H3
InChIKeyYUPKGADQYXSQDR-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 103702404
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 63001589
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
CID 82726357
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
2,6-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007117
6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 64744038
1-cyclopropyl-3-[(3-methylimidazol-4-yl)methyl]thiourea
CID 130847098
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine (CID 66117502) is 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine is CC1CCC(NCc2cncn2C)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is YUPKGADQYXSQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)15-8-13-7-14-9-16(13)3/h7,9-12,15H,4-6,8H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66117502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).