4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride

C18H31ClN2O — CID 119325324

IUPAC4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
SMILESCC(C)CCC(NC(=O)c1ccc(CN)cc1)C(C)(C)C.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(2)6-11-16(18(3,4)5)20-17(21)15-9-7-14(12-19)8-10-15;/h7-10,13,16H,6,11-12,19H2,1-5H3,(H,20,21);1H
InChIKeyKLJHAGZRVUSTFL-UHFFFAOYSA-N
MW326.91 g/mol
LogP4.15
Rot. Bonds6

About 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride

4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride (PubChem CID 119325324) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
PubChem CID119325324
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
SMILESCC(C)CCC(NC(=O)c1ccc(CN)cc1)C(C)(C)C.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(2)6-11-16(18(3,4)5)20-17(21)15-9-7-14(12-19)8-10-15;/h7-10,13,16H,6,11-12,19H2,1-5H3,(H,20,21);1H
InChIKeyKLJHAGZRVUSTFL-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106357055
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
CID 119320424
(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride (CID 119325324) is 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride is CC(C)CCC(NC(=O)c1ccc(CN)cc1)C(C)(C)C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride?
The InChIKey is KLJHAGZRVUSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-13(2)6-11-16(18(3,4)5)20-17(21)15-9-7-14(12-19)8-10-15;/h7-10,13,16H,6,11-12,19H2,1-5H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride?
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119325324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).