N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C17H31N3O — CID 106571299

IUPACN-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(Nc1nc(C)cn1C(C)COC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-5-16(15-9-7-6-8-10-15)19-17-18-13(2)11-20(17)14(3)12-21-4/h11,14-16H,5-10,12H2,1-4H3,(H,18,19)
InChIKeyMTAJXLPNCJMQHO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.17
Rot. Bonds7

About N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106571299) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106571299
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(Nc1nc(C)cn1C(C)COC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-5-16(15-9-7-6-8-10-15)19-17-18-13(2)11-20(17)14(3)12-21-4/h11,14-16H,5-10,12H2,1-4H3,(H,18,19)
InChIKeyMTAJXLPNCJMQHO-UHFFFAOYSA-N
XLogP4.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(4-ethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564307
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574577
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
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-propylimidazol-2-amine
CID 106554728
1-(1-cyclohexylethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106571270
N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564571
N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
CID 106572754
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-(1-methoxypropan-2-yl)-4-methyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567416

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106571299) is N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is CCC(Nc1nc(C)cn1C(C)COC)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is MTAJXLPNCJMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-16(15-9-7-6-8-10-15)19-17-18-13(2)11-20(17)14(3)12-21-4/h11,14-16H,5-10,12H2,1-4H3,(H,18,19).
What are the key properties of N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).