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

C16H29N3 — CID 106574296

IUPACN-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1CCC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-3-4-10-17-16-18-11-13-19(16)12-9-15-7-5-14(2)6-8-15/h11,13-15H,3-10,12H2,1-2H3,(H,17,18)
InChIKeyQUYJHCDQLNIUQX-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.31
Rot. Bonds7

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

N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574296) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574296
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1CCC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-3-4-10-17-16-18-11-13-19(16)12-9-15-7-5-14(2)6-8-15/h11,13-15H,3-10,12H2,1-2H3,(H,17,18)
InChIKeyQUYJHCDQLNIUQX-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
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-cyclopentylethyl)-N-ethylimidazol-2-amine
CID 106563426
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582532

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574296) is N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is CCCCNc1nccn1CCC1CCC(C)CC1.
What is the InChIKey of N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is QUYJHCDQLNIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-10-17-16-18-11-13-19(16)12-9-15-7-5-14(2)6-8-15/h11,13-15H,3-10,12H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).