2-(3,4-dimethylpentyl)-N-methylaniline;ethane

C16H29N — CID 143226091

IUPAC2-(3,4-dimethylpentyl)-N-methylaniline;ethane
SMILESCC.CNc1ccccc1CCC(C)C(C)C
InChIInChI=1S/C14H23N.C2H6/c1-11(2)12(3)9-10-13-7-5-6-8-14(13)15-4;1-2/h5-8,11-12,15H,9-10H2,1-4H3;1-2H3
InChIKeyHPXWUJDDVPZROB-UHFFFAOYSA-N
MW235.42 g/mol
LogP4.98
Rot. Bonds5

About 2-(3,4-dimethylpentyl)-N-methylaniline;ethane

2-(3,4-dimethylpentyl)-N-methylaniline;ethane (PubChem CID 143226091) has the molecular formula C16H29N and a molecular weight of 235.42 g/mol. Its IUPAC name is 2-(3,4-dimethylpentyl)-N-methylaniline;ethane.

Molecular Properties

Compound Name2-(3,4-dimethylpentyl)-N-methylaniline;ethane
PubChem CID143226091
Molecular FormulaC16H29N
Molecular Weight235.42 g/mol
Exact Mass235.23
IUPAC Name2-(3,4-dimethylpentyl)-N-methylaniline;ethane
SMILESCC.CNc1ccccc1CCC(C)C(C)C
InChIInChI=1S/C14H23N.C2H6/c1-11(2)12(3)9-10-13-7-5-6-8-14(13)15-4;1-2/h5-8,11-12,15H,9-10H2,1-4H3;1-2H3
InChIKeyHPXWUJDDVPZROB-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloroethyl)-N-methylaniline
CID 54331178
2-butyl-N-methylaniline;hydrochloride
CID 67695617
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline
CID 143832136
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
methyl 3-[2-(methylamino)phenyl]propanoate
CID 54226185
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
2-hept-6-enyl-N-methylaniline
CID 166715276
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 113425638
2-(3-methylpentyl)-N-methylsulfanylaniline
CID 143655612
N-[2-(3-methylbutyl)phenyl]ethanesulfonamide
CID 59755785

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpentyl)-N-methylaniline;ethane?
The IUPAC name of 2-(3,4-dimethylpentyl)-N-methylaniline;ethane (CID 143226091) is 2-(3,4-dimethylpentyl)-N-methylaniline;ethane.
What is the SMILES notation for 2-(3,4-dimethylpentyl)-N-methylaniline;ethane?
The canonical SMILES for 2-(3,4-dimethylpentyl)-N-methylaniline;ethane is CC.CNc1ccccc1CCC(C)C(C)C.
What is the InChIKey of 2-(3,4-dimethylpentyl)-N-methylaniline;ethane?
The InChIKey is HPXWUJDDVPZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-11(2)12(3)9-10-13-7-5-6-8-14(13)15-4;1-2/h5-8,11-12,15H,9-10H2,1-4H3;1-2H3.
What are the key properties of 2-(3,4-dimethylpentyl)-N-methylaniline;ethane?
2-(3,4-dimethylpentyl)-N-methylaniline;ethane has a molecular weight of 235.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentyl)-N-methylaniline;ethane is sourced from PubChem (CID 143226091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).