1-(3,5-dimethylphenyl)-N-methylhexan-1-amine

C15H25N — CID 115797265

IUPAC1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-5-6-7-8-15(16-4)14-10-12(2)9-13(3)11-14/h9-11,15-16H,5-8H2,1-4H3
InChIKeyUMFDWGRBCZSVMT-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.14
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine

1-(3,5-dimethylphenyl)-N-methylhexan-1-amine (PubChem CID 115797265) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
PubChem CID115797265
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-5-6-7-8-15(16-4)14-10-12(2)9-13(3)11-14/h9-11,15-16H,5-8H2,1-4H3
InChIKeyUMFDWGRBCZSVMT-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
1-(3,5-dimethylphenyl)-N-methyl-2-pentylsulfinylethanamine
CID 107758786
N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
CID 104991616
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine (CID 115797265) is 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine?
The InChIKey is UMFDWGRBCZSVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-7-8-15(16-4)14-10-12(2)9-13(3)11-14/h9-11,15-16H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine?
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 115797265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).