2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine

C16H27N — CID 107887092

IUPAC2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27N/c1-6-7-14(4)16(11-17-5)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,6-7,11H2,1-5H3
InChIKeyWKFKAJUYKUJCAT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.04
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine

2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine (PubChem CID 107887092) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
PubChem CID107887092
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27N/c1-6-7-14(4)16(11-17-5)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,6-7,11H2,1-5H3
InChIKeyWKFKAJUYKUJCAT-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107887170
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 114012916
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812
[1-(3,5-dimethylphenyl)-3-methylhexan-2-yl]hydrazine
CID 105287241
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
CID 81019638
2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine (CID 107887092) is 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine is CCCC(C)C(CNC)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is WKFKAJUYKUJCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-14(4)16(11-17-5)15-9-12(2)8-13(3)10-15/h8-10,14,16-17H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine?
2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 107887092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).