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

C14H27N3O — CID 106582355

IUPAC1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCOCC(C)C
InChIInChI=1S/C14H27N3O/c1-5-6-8-17-10-13(4)16-14(17)15-7-9-18-11-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,15,16)
InChIKeyUOQAUIZQIIFYEC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.08
Rot. Bonds9

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

1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (PubChem CID 106582355) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
PubChem CID106582355
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCOCC(C)C
InChIInChI=1S/C14H27N3O/c1-5-6-8-17-10-13(4)16-14(17)15-7-9-18-11-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,15,16)
InChIKeyUOQAUIZQIIFYEC-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-4-methyl-N-[2-(2-methylpropoxy)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-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582379
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571787

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine (CID 106582355) is 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is CCCCn1cc(C)nc1NCCOCC(C)C.
What is the InChIKey of 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
The InChIKey is UOQAUIZQIIFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-6-8-17-10-13(4)16-14(17)15-7-9-18-11-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,15,16).
What are the key properties of 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine?
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106582355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).