1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine

C16H27N — CID 114201703

IUPAC1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
SMILESCc1cc(C)cc(C(N)CC(C)CC(C)C)c1
InChIInChI=1S/C16H27N/c1-11(2)6-12(3)10-16(17)15-8-13(4)7-14(5)9-15/h7-9,11-12,16H,6,10,17H2,1-5H3
InChIKeyMLMJYMMJVWEYBR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.38
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine

1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine (PubChem CID 114201703) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
PubChem CID114201703
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
SMILESCc1cc(C)cc(C(N)CC(C)CC(C)C)c1
InChIInChI=1S/C16H27N/c1-11(2)6-12(3)10-16(17)15-8-13(4)7-14(5)9-15/h7-9,11-12,16H,6,10,17H2,1-5H3
InChIKeyMLMJYMMJVWEYBR-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
CID 115845741
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
1-(3,5-dimethylphenyl)pent-3-yn-1-amine
CID 115819144
1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
CID 114201084
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
bis(3,5-dimethylphenyl)methanamine
CID 115796405
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine (CID 114201703) is 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine is Cc1cc(C)cc(C(N)CC(C)CC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine?
The InChIKey is MLMJYMMJVWEYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)6-12(3)10-16(17)15-8-13(4)7-14(5)9-15/h7-9,11-12,16H,6,10,17H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine?
1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine is sourced from PubChem (CID 114201703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).