N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride

C16H27ClN2O — CID 119658927

IUPACN-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)15(17)6-7-18(5)16(19)14-9-12(3)8-13(4)10-14;/h8-11,15H,6-7,17H2,1-5H3;1H
InChIKeyBYCIAYCSHBGYOY-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.17
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride (PubChem CID 119658927) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
PubChem CID119658927
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)15(17)6-7-18(5)16(19)14-9-12(3)8-13(4)10-14;/h8-11,15H,6-7,17H2,1-5H3;1H
InChIKeyBYCIAYCSHBGYOY-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 119658907
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride (CID 119658927) is N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride is Cc1cc(C)cc(C(=O)N(C)CCC(N)C(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride?
The InChIKey is BYCIAYCSHBGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-11(2)15(17)6-7-18(5)16(19)14-9-12(3)8-13(4)10-14;/h8-11,15H,6-7,17H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 119658927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).