N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride

C16H27ClN2O — CID 119571299

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NC(CC)(CC)CN)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-7-13-8-10-14(11-9-13)15(19)18-16(5-2,6-3)12-17;/h8-11H,4-7,12,17H2,1-3H3,(H,18,19);1H
InChIKeyQMMSRPPFGLNGIN-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.31
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride (PubChem CID 119571299) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
PubChem CID119571299
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NC(CC)(CC)CN)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-7-13-8-10-14(11-9-13)15(19)18-16(5-2,6-3)12-17;/h8-11H,4-7,12,17H2,1-3H3,(H,18,19);1H
InChIKeyQMMSRPPFGLNGIN-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 119572048
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630211
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 119572183
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177
N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119569020
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
N'-hydroxy-4-propylbenzohydrazide
CID 18359035

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride (CID 119571299) is N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride is CCCc1ccc(C(=O)NC(CC)(CC)CN)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride?
The InChIKey is QMMSRPPFGLNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-7-13-8-10-14(11-9-13)15(19)18-16(5-2,6-3)12-17;/h8-11H,4-7,12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride is sourced from PubChem (CID 119571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).