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

C16H29N3 — CID 106571745

IUPACN-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-4-5-10-17-16-18-14(3)11-19(16)12-15-8-6-13(2)7-9-15/h11,13,15H,4-10,12H2,1-3H3,(H,17,18)
InChIKeyLXQVIOVFHBTWAE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.23
Rot. Bonds6

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

N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine (PubChem CID 106571745) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
PubChem CID106571745
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-4-5-10-17-16-18-14(3)11-19(16)12-15-8-6-13(2)7-9-15/h11,13,15H,4-10,12H2,1-3H3,(H,17,18)
InChIKeyLXQVIOVFHBTWAE-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564255
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-propylimidazol-2-amine
CID 106567050
1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555207
N-cyclohexyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571766
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
CID 106569460
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557473
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine (CID 106571745) is N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine is CCCCNc1nc(C)cn1CC1CCC(C)CC1.
What is the InChIKey of N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
The InChIKey is LXQVIOVFHBTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-5-10-17-16-18-14(3)11-19(16)12-15-8-6-13(2)7-9-15/h11,13,15H,4-10,12H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine?
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106571745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).