N-(4-aminopentyl)-2,6-dimethylbenzamide

C14H22N2O — CID 106122701

IUPACN-(4-aminopentyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCC(C)N
InChIInChI=1S/C14H22N2O/c1-10-6-4-7-11(2)13(10)14(17)16-9-5-8-12(3)15/h4,6-7,12H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyYFHFBTWJNLDWRX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds5

About N-(4-aminopentyl)-2,6-dimethylbenzamide

N-(4-aminopentyl)-2,6-dimethylbenzamide (PubChem CID 106122701) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-aminopentyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2,6-dimethylbenzamide
PubChem CID106122701
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-aminopentyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCC(C)N
InChIInChI=1S/C14H22N2O/c1-10-6-4-7-11(2)13(10)14(17)16-9-5-8-12(3)15/h4,6-7,12H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyYFHFBTWJNLDWRX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
N-(3-aminopentyl)-2,6-dimethylbenzamide
CID 114026646
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
CID 106122327
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(4-aminopentyl)-2,6-dimethylbenzamide (CID 106122701) is N-(4-aminopentyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(4-aminopentyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(4-aminopentyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCCCC(C)N.
What is the InChIKey of N-(4-aminopentyl)-2,6-dimethylbenzamide?
The InChIKey is YFHFBTWJNLDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-4-7-11(2)13(10)14(17)16-9-5-8-12(3)15/h4,6-7,12H,5,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-aminopentyl)-2,6-dimethylbenzamide?
N-(4-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-(4-aminopentyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 106122701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).