N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride

C14H21ClN2O3 — CID 119667368

IUPACN-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-2-3-4-11(8-15)16-14(17)10-5-6-12-13(7-10)19-9-18-12;/h5-7,11H,2-4,8-9,15H2,1H3,(H,16,17);1H
InChIKeyNKHRXYMJUUCOKD-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.08
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride (PubChem CID 119667368) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
PubChem CID119667368
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-2-3-4-11(8-15)16-14(17)10-5-6-12-13(7-10)19-9-18-12;/h5-7,11H,2-4,8-9,15H2,1H3,(H,16,17);1H
InChIKeyNKHRXYMJUUCOKD-UHFFFAOYSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
N-(4-amino-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152620
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
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-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-5-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119665147
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride (CID 119667368) is N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The InChIKey is NKHRXYMJUUCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-2-3-4-11(8-15)16-14(17)10-5-6-12-13(7-10)19-9-18-12;/h5-7,11H,2-4,8-9,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119667368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).