N,3-dimethyl-2-(3-methylhexyl)aniline

C15H25N — CID 70562888

IUPACN,3-dimethyl-2-(3-methylhexyl)aniline
SMILESCCCC(C)CCc1c(C)cccc1NC
InChIInChI=1S/C15H25N/c1-5-7-12(2)10-11-14-13(3)8-6-9-15(14)16-4/h6,8-9,12,16H,5,7,10-11H2,1-4H3
InChIKeyQSHSKMLIRDZMLW-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.41
Rot. Bonds6

About N,3-dimethyl-2-(3-methylhexyl)aniline

N,3-dimethyl-2-(3-methylhexyl)aniline (PubChem CID 70562888) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,3-dimethyl-2-(3-methylhexyl)aniline.

Molecular Properties

Compound NameN,3-dimethyl-2-(3-methylhexyl)aniline
PubChem CID70562888
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,3-dimethyl-2-(3-methylhexyl)aniline
SMILESCCCC(C)CCc1c(C)cccc1NC
InChIInChI=1S/C15H25N/c1-5-7-12(2)10-11-14-13(3)8-6-9-15(14)16-4/h6,8-9,12,16H,5,7,10-11H2,1-4H3
InChIKeyQSHSKMLIRDZMLW-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-[(2-methyl-4-pentan-2-ylphenoxy)methyl]aniline
CID 144784724
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912
N,2-dimethylaniline
CID 163768915
2-fluoro-N,3-dimethylaniline
CID 50998713
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
2-butyl-1-ethylsulfanyl-3-methylbenzene
CID 100940163
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(3-methylhexyl)aniline?
The IUPAC name of N,3-dimethyl-2-(3-methylhexyl)aniline (CID 70562888) is N,3-dimethyl-2-(3-methylhexyl)aniline.
What is the SMILES notation for N,3-dimethyl-2-(3-methylhexyl)aniline?
The canonical SMILES for N,3-dimethyl-2-(3-methylhexyl)aniline is CCCC(C)CCc1c(C)cccc1NC.
What is the InChIKey of N,3-dimethyl-2-(3-methylhexyl)aniline?
The InChIKey is QSHSKMLIRDZMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-12(2)10-11-14-13(3)8-6-9-15(14)16-4/h6,8-9,12,16H,5,7,10-11H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(3-methylhexyl)aniline?
N,3-dimethyl-2-(3-methylhexyl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(3-methylhexyl)aniline is sourced from PubChem (CID 70562888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).