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

C15H27N3O — CID 106571770

IUPACN-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CC1CCC(C)CC1
InChIInChI=1S/C15H27N3O/c1-13-4-6-14(7-5-13)12-18-10-9-17-15(18)16-8-3-11-19-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyIIKRCDVEBQPJPI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds7

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

N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine (PubChem CID 106571770) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
PubChem CID106571770
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CC1CCC(C)CC1
InChIInChI=1S/C15H27N3O/c1-13-4-6-14(7-5-13)12-18-10-9-17-15(18)16-8-3-11-19-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyIIKRCDVEBQPJPI-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
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-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574312
1-[(4-methylcyclohexyl)methyl]-N-propylimidazol-2-amine
CID 106571771
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106572492
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine (CID 106571770) is N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine is COCCCNc1nccn1CC1CCC(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The InChIKey is IIKRCDVEBQPJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-4-6-14(7-5-13)12-18-10-9-17-15(18)16-8-3-11-19-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).