1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine

C16H29N3O — CID 106574312

IUPAC1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NCCC1CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-14-4-6-15(7-5-14)8-9-17-16-18-10-12-19(16)11-3-13-20-2/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,17,18)
InChIKeyRZVACFQBMORNJR-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.55
Rot. Bonds8

About 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine

1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574312) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574312
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NCCC1CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-14-4-6-15(7-5-14)8-9-17-16-18-10-12-19(16)11-3-13-20-2/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,17,18)
InChIKeyRZVACFQBMORNJR-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.55
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

N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(4-ethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564321
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
N-(3,5-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106575337
1-[(4-methylcyclohexyl)methyl]-N-propylimidazol-2-amine
CID 106571771
1-(3-methoxypropyl)-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571163

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574312) is 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is COCCCn1ccnc1NCCC1CCC(C)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is RZVACFQBMORNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14-4-6-15(7-5-14)8-9-17-16-18-10-12-19(16)11-3-13-20-2/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).