N-(2,3,5-trimethylhexyl)aniline

C15H25N — CID 167250577

IUPACN-(2,3,5-trimethylhexyl)aniline
SMILESCC(C)CC(C)C(C)CNc1ccccc1
InChIInChI=1S/C15H25N/c1-12(2)10-13(3)14(4)11-16-15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3
InChIKeyDMHMCFDTSFVOBY-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.42
Rot. Bonds6

About N-(2,3,5-trimethylhexyl)aniline

N-(2,3,5-trimethylhexyl)aniline (PubChem CID 167250577) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2,3,5-trimethylhexyl)aniline.

Molecular Properties

Compound NameN-(2,3,5-trimethylhexyl)aniline
PubChem CID167250577
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(2,3,5-trimethylhexyl)aniline
SMILESCC(C)CC(C)C(C)CNc1ccccc1
InChIInChI=1S/C15H25N/c1-12(2)10-13(3)14(4)11-16-15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3
InChIKeyDMHMCFDTSFVOBY-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-anilino-2-methylpentan-3-ol
CID 69294698
N-(2-bromopropyl)aniline
CID 13183607
N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
N-(2-methylsulfonylpropyl)aniline
CID 104519124
N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
CID 156868547
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-anilino-2-methylpropanethioamide
CID 82075999
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
N-(3,4-dimethylpentyl)aniline
CID 89346874

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trimethylhexyl)aniline?
The IUPAC name of N-(2,3,5-trimethylhexyl)aniline (CID 167250577) is N-(2,3,5-trimethylhexyl)aniline.
What is the SMILES notation for N-(2,3,5-trimethylhexyl)aniline?
The canonical SMILES for N-(2,3,5-trimethylhexyl)aniline is CC(C)CC(C)C(C)CNc1ccccc1.
What is the InChIKey of N-(2,3,5-trimethylhexyl)aniline?
The InChIKey is DMHMCFDTSFVOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)10-13(3)14(4)11-16-15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3.
What are the key properties of N-(2,3,5-trimethylhexyl)aniline?
N-(2,3,5-trimethylhexyl)aniline has a molecular weight of 219.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trimethylhexyl)aniline is sourced from PubChem (CID 167250577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).