N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine

C12H23N3 — CID 103466378

IUPACN-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)(C)CC
InChIInChI=1S/C12H23N3/c1-5-12(3,4)9-15-10-14-8-11(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyIAMUNKVPWRSILM-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.43
Rot. Bonds6

About N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 103466378) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
PubChem CID103466378
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)(C)CC
InChIInChI=1S/C12H23N3/c1-5-12(3,4)9-15-10-14-8-11(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyIAMUNKVPWRSILM-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine 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-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
CID 103466374
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168390
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
methyl 2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methylamino]acetate
CID 178144000
N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 66151607
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine (CID 103466378) is N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CC(C)(C)CC.
What is the InChIKey of N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is IAMUNKVPWRSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(3,4)9-15-10-14-8-11(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 209.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103466378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).