N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride

C14H23ClN2O — CID 119667380

IUPACN-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-4-8-13(10-15)16-14(17)12-7-5-6-11(2)9-12;/h5-7,9,13H,3-4,8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyZIBBEUMJJXEOIG-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.66
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride (PubChem CID 119667380) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
PubChem CID119667380
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-4-8-13(10-15)16-14(17)12-7-5-6-11(2)9-12;/h5-7,9,13H,3-4,8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyZIBBEUMJJXEOIG-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride (CID 119667380) is N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(C)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride?
The InChIKey is ZIBBEUMJJXEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-4-8-13(10-15)16-14(17)12-7-5-6-11(2)9-12;/h5-7,9,13H,3-4,8,10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).