4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine

C14H28N4 — CID 66151168

IUPAC4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCNCc1cncn1CCCCN(C)C(C)C
InChIInChI=1S/C14H28N4/c1-5-15-10-14-11-16-12-18(14)9-7-6-8-17(4)13(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyMPWOAHCXSFWNGG-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.11
Rot. Bonds9

About 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine

4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 66151168) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID66151168
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCNCc1cncn1CCCCN(C)C(C)C
InChIInChI=1S/C14H28N4/c1-5-15-10-14-11-16-12-18(14)9-7-6-8-17(4)13(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyMPWOAHCXSFWNGG-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-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

3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N'-butan-2-yl-N-[(3-ethylimidazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132517

Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine (CID 66151168) is 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine is CCNCc1cncn1CCCCN(C)C(C)C.
What is the InChIKey of 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MPWOAHCXSFWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-15-10-14-11-16-12-18(14)9-7-6-8-17(4)13(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine?
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 66151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).