N-(3-aminopentyl)-2,6-dimethylbenzamide

C14H22N2O — CID 114026646

IUPACN-(3-aminopentyl)-2,6-dimethylbenzamide
SMILESCCC(N)CCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-12(15)8-9-16-14(17)13-10(2)6-5-7-11(13)3/h5-7,12H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHAAIYCGQWAHPOT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds5

About N-(3-aminopentyl)-2,6-dimethylbenzamide

N-(3-aminopentyl)-2,6-dimethylbenzamide (PubChem CID 114026646) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-aminopentyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminopentyl)-2,6-dimethylbenzamide
PubChem CID114026646
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-aminopentyl)-2,6-dimethylbenzamide
SMILESCCC(N)CCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-12(15)8-9-16-14(17)13-10(2)6-5-7-11(13)3/h5-7,12H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHAAIYCGQWAHPOT-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopentyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(3-aminopentyl)-2,6-dimethylbenzamide (CID 114026646) is N-(3-aminopentyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(3-aminopentyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(3-aminopentyl)-2,6-dimethylbenzamide is CCC(N)CCNC(=O)c1c(C)cccc1C.
What is the InChIKey of N-(3-aminopentyl)-2,6-dimethylbenzamide?
The InChIKey is HAAIYCGQWAHPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12(15)8-9-16-14(17)13-10(2)6-5-7-11(13)3/h5-7,12H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-aminopentyl)-2,6-dimethylbenzamide?
N-(3-aminopentyl)-2,6-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopentyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).