3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride

C15H24ClN3O2 — CID 119668834

IUPAC3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C(=O)NC)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-4-8-13(10-16)18-15(20)12-7-5-6-11(9-12)14(19)17-2;/h5-7,9,13H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyJISAXUOLYCVZSR-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.72
Rot. Bonds7

About 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride

3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119668834) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119668834
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C(=O)NC)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-4-8-13(10-16)18-15(20)12-7-5-6-11(9-12)14(19)17-2;/h5-7,9,13H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyJISAXUOLYCVZSR-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
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)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride (CID 119668834) is 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(C(=O)NC)c1.Cl.
What is the InChIKey of 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is JISAXUOLYCVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-3-4-8-13(10-16)18-15(20)12-7-5-6-11(9-12)14(19)17-2;/h5-7,9,13H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119668834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).