N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C16H29N3O — CID 106574577

IUPACN-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C16H29N3O/c1-11-6-7-15(8-12(11)2)18-16-17-13(3)9-19(16)14(4)10-20-5/h9,11-12,14-15H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyBSHQUFSRSVWUQL-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.64
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106574577) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106574577
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C16H29N3O/c1-11-6-7-15(8-12(11)2)18-16-17-13(3)9-19(16)14(4)10-20-5/h9,11-12,14-15H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyBSHQUFSRSVWUQL-UHFFFAOYSA-N
XLogP3.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564307
N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
CID 106574619
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106571299
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine
CID 106574600
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106557746
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
4-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylimidazol-2-amine
CID 106560158
N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574403
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-4-methylimidazol-2-amine
CID 106567767

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106574577) is N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is BSHQUFSRSVWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11-6-7-15(8-12(11)2)18-16-17-13(3)9-19(16)14(4)10-20-5/h9,11-12,14-15H,6-8,10H2,1-5H3,(H,17,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).