N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

C8H15N3 — CID 46784320

IUPACN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc[nH]1
InChIInChI=1S/C8H15N3/c1-7(2)5-9-6-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyNIXCAKDNCGAAKR-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.16
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 46784320) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID46784320
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc[nH]1
InChIInChI=1S/C8H15N3/c1-7(2)5-9-6-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyNIXCAKDNCGAAKR-UHFFFAOYSA-N
XLogP1.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-imidazol-2-ylmethyl)-2-methylpropan-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

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 119111188
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
CID 119111767
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (CID 46784320) is N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is NIXCAKDNCGAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)5-9-6-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 46784320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).