4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride

C15H25ClN2O — CID 119334920

IUPAC4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
SMILESCCC(CC)(CC)NC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-15(5-2,6-3)17-14(18)13-9-7-12(11-16)8-10-13;/h7-10H,4-6,11,16H2,1-3H3,(H,17,18);1H
InChIKeyNXKXBPACPZUUIV-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.27
Rot. Bonds6

About 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride

4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride (PubChem CID 119334920) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
PubChem CID119334920
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
SMILESCCC(CC)(CC)NC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-15(5-2,6-3)17-14(18)13-9-7-12(11-16)8-10-13;/h7-10H,4-6,11,16H2,1-3H3,(H,17,18);1H
InChIKeyNXKXBPACPZUUIV-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-ethylpentanoate
CID 119344217
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
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N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
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N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 119572048
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630211
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 103890885
2-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430415
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride (CID 119334920) is 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride is CCC(CC)(CC)NC(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride?
The InChIKey is NXKXBPACPZUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-4-15(5-2,6-3)17-14(18)13-9-7-12(11-16)8-10-13;/h7-10H,4-6,11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride?
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119334920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).