2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen

C14H25N — CID 155692558

IUPAC2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
SMILESCCCC(C)CNc1c(C)cccc1C.[H][H]
InChIInChI=1S/C14H23N.H2/c1-5-7-11(2)10-15-14-12(3)8-6-9-13(14)4;/h6,8-9,11,15H,5,7,10H2,1-4H3;1H
InChIKeySIQZUPYXVAYZTF-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.40
Rot. Bonds5

About 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen

2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen (PubChem CID 155692558) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
PubChem CID155692558
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
SMILESCCCC(C)CNc1c(C)cccc1C.[H][H]
InChIInChI=1S/C14H23N.H2/c1-5-7-11(2)10-15-14-12(3)8-6-9-13(14)4;/h6,8-9,11,15H,5,7,10H2,1-4H3;1H
InChIKeySIQZUPYXVAYZTF-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-(2-methylpentyl)aniline
CID 107597227
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline
CID 67857831
3-iodo-N-(2-methylpentyl)aniline
CID 43124492
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
2-methyl-N-(2-methylbutyl)-6-nitroaniline
CID 115551443

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen?
The IUPAC name of 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen (CID 155692558) is 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen.
What is the SMILES notation for 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen?
The canonical SMILES for 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen is CCCC(C)CNc1c(C)cccc1C.[H][H].
What is the InChIKey of 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen?
The InChIKey is SIQZUPYXVAYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.H2/c1-5-7-11(2)10-15-14-12(3)8-6-9-13(14)4;/h6,8-9,11,15H,5,7,10H2,1-4H3;1H.
What are the key properties of 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen?
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen has a molecular weight of 207.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen is sourced from PubChem (CID 155692558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).