2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide

C12H22N4O — CID 107472326

IUPAC2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C12H22N4O/c1-12(2,3)4-9(5-13)11(17)15-7-10-6-14-8-16-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZXPDGLUQTIZCHT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds5

About 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide (PubChem CID 107472326) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
PubChem CID107472326
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C12H22N4O/c1-12(2,3)4-9(5-13)11(17)15-7-10-6-14-8-16-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZXPDGLUQTIZCHT-UHFFFAOYSA-N
XLogP1.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide (CID 107472326) is 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)NCc1cnc[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide?
The InChIKey is ZXPDGLUQTIZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)4-9(5-13)11(17)15-7-10-6-14-8-16-10/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).