N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

C16H26N2O — CID 107206649

IUPACN-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CCCCCN)c1
InChIInChI=1S/C16H26N2O/c1-13-7-8-14(2)15(11-13)12-16(19)18(3)10-6-4-5-9-17/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyLXHQKOGCHRKHHC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds7

About N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 107206649) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
PubChem CID107206649
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CCCCCN)c1
InChIInChI=1S/C16H26N2O/c1-13-7-8-14(2)15(11-13)12-16(19)18(3)10-6-4-5-9-17/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyLXHQKOGCHRKHHC-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 107206768
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
1-(3-aminopropyl)-1-(2,5-dimethylphenyl)urea
CID 82392337
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (CID 107206649) is N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)CCCCCN)c1.
What is the InChIKey of N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is LXHQKOGCHRKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-7-8-14(2)15(11-13)12-16(19)18(3)10-6-4-5-9-17/h7-8,11H,4-6,9-10,12,17H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 262.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 107206649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).