N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine

C17H31N3O — CID 106566514

IUPACN-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
SMILESCCCC1CCC(n2cc(C)nc2NCCCOC)CC1
InChIInChI=1S/C17H31N3O/c1-4-6-15-7-9-16(10-8-15)20-13-14(2)19-17(20)18-11-5-12-21-3/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyZIGSTCSJRSGNIC-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.17
Rot. Bonds8

About N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine

N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine (PubChem CID 106566514) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
PubChem CID106566514
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
SMILESCCCC1CCC(n2cc(C)nc2NCCCOC)CC1
InChIInChI=1S/C17H31N3O/c1-4-6-15-7-9-16(10-8-15)20-13-14(2)19-17(20)18-11-5-12-21-3/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyZIGSTCSJRSGNIC-UHFFFAOYSA-N
XLogP4.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577719
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564767
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclopropyl-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-2-amine
CID 106581939
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
CID 106574582
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine (CID 106566514) is N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine is CCCC1CCC(n2cc(C)nc2NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine?
The InChIKey is ZIGSTCSJRSGNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-6-15-7-9-16(10-8-15)20-13-14(2)19-17(20)18-11-5-12-21-3/h13,15-16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106566514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).