ethane;2-(3-methylbutyl)aniline

C15H29N — CID 143042088

IUPACethane;2-(3-methylbutyl)aniline
SMILESCC.CC.CC(C)CCc1ccccc1N
InChIInChI=1S/C11H17N.2C2H6/c1-9(2)7-8-10-5-3-4-6-11(10)12;2*1-2/h3-6,9H,7-8,12H2,1-2H3;2*1-2H3
InChIKeyCFMXSGXCUDZYHQ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.91
Rot. Bonds3

About ethane;2-(3-methylbutyl)aniline

ethane;2-(3-methylbutyl)aniline (PubChem CID 143042088) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;2-(3-methylbutyl)aniline.

Molecular Properties

Compound Nameethane;2-(3-methylbutyl)aniline
PubChem CID143042088
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;2-(3-methylbutyl)aniline
SMILESCC.CC.CC(C)CCc1ccccc1N
InChIInChI=1S/C11H17N.2C2H6/c1-9(2)7-8-10-5-3-4-6-11(10)12;2*1-2/h3-6,9H,7-8,12H2,1-2H3;2*1-2H3
InChIKeyCFMXSGXCUDZYHQ-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
2-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107751691
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-[(3-methylbutylamino)methyl]aniline
CID 65439123
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
ethane;2-ethylaniline
CID 90841248
2-methyl-6-(3-methylbutyl)aniline
CID 105437241
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
2-(aminomethyl)aniline;ethane
CID 90697767
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylbutyl)aniline?
The IUPAC name of ethane;2-(3-methylbutyl)aniline (CID 143042088) is ethane;2-(3-methylbutyl)aniline.
What is the SMILES notation for ethane;2-(3-methylbutyl)aniline?
The canonical SMILES for ethane;2-(3-methylbutyl)aniline is CC.CC.CC(C)CCc1ccccc1N.
What is the InChIKey of ethane;2-(3-methylbutyl)aniline?
The InChIKey is CFMXSGXCUDZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.2C2H6/c1-9(2)7-8-10-5-3-4-6-11(10)12;2*1-2/h3-6,9H,7-8,12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(3-methylbutyl)aniline?
ethane;2-(3-methylbutyl)aniline has a molecular weight of 223.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylbutyl)aniline is sourced from PubChem (CID 143042088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).