N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine

C19H29N3 — CID 60514774

IUPACN-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H29N3/c1-18(2,3)15-19(4,5)21-13-17-20-11-12-22(17)14-16-9-7-6-8-10-16/h6-12,21H,13-15H2,1-5H3
InChIKeyRGNCFCIMVUECDH-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.24
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 60514774) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID60514774
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H29N3/c1-18(2,3)15-19(4,5)21-13-17-20-11-12-22(17)14-16-9-7-6-8-10-16/h6-12,21H,13-15H2,1-5H3
InChIKeyRGNCFCIMVUECDH-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 45241917
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
CID 45219998
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
CID 133324117
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine (CID 60514774) is N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is RGNCFCIMVUECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-18(2,3)15-19(4,5)21-13-17-20-11-12-22(17)14-16-9-7-6-8-10-16/h6-12,21H,13-15H2,1-5H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 299.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 60514774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).