6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide

C16H26N2O — CID 60940329

IUPAC6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-8-9-15(14(2)11-13)12-18(3)16(19)7-5-4-6-10-17/h8-9,11H,4-7,10,12,17H2,1-3H3
InChIKeyKMQNQDPIFNFXKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds7

About 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide

6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide (PubChem CID 60940329) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
PubChem CID60940329
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-8-9-15(14(2)11-13)12-18(3)16(19)7-5-4-6-10-17/h8-9,11H,4-7,10,12,17H2,1-3H3
InChIKeyKMQNQDPIFNFXKE-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
CID 18117086

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide (CID 60940329) is 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide is Cc1ccc(CN(C)C(=O)CCCCCN)c(C)c1.
What is the InChIKey of 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide?
The InChIKey is KMQNQDPIFNFXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-8-9-15(14(2)11-13)12-18(3)16(19)7-5-4-6-10-17/h8-9,11H,4-7,10,12,17H2,1-3H3.
What are the key properties of 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide?
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide has a molecular weight of 262.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 60940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).