2-[3-[bis(3-methylbutyl)amino]propyl]aniline

C19H34N2 — CID 107870230

IUPAC2-[3-[bis(3-methylbutyl)amino]propyl]aniline
SMILESCC(C)CCN(CCCc1ccccc1N)CCC(C)C
InChIInChI=1S/C19H34N2/c1-16(2)11-14-21(15-12-17(3)4)13-7-9-18-8-5-6-10-19(18)20/h5-6,8,10,16-17H,7,9,11-15,20H2,1-4H3
InChIKeyMIKACRUBEMTSLF-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.60
Rot. Bonds10

About 2-[3-[bis(3-methylbutyl)amino]propyl]aniline

2-[3-[bis(3-methylbutyl)amino]propyl]aniline (PubChem CID 107870230) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-[3-[bis(3-methylbutyl)amino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[bis(3-methylbutyl)amino]propyl]aniline
PubChem CID107870230
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-[3-[bis(3-methylbutyl)amino]propyl]aniline
SMILESCC(C)CCN(CCCc1ccccc1N)CCC(C)C
InChIInChI=1S/C19H34N2/c1-16(2)11-14-21(15-12-17(3)4)13-7-9-18-8-5-6-10-19(18)20/h5-6,8,10,16-17H,7,9,11-15,20H2,1-4H3
InChIKeyMIKACRUBEMTSLF-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(3-methylbutyl)aniline
CID 143042088
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
CID 107274303
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
CID 107274552
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107751691
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-tetradecylaniline
CID 22218918

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(3-methylbutyl)amino]propyl]aniline?
The IUPAC name of 2-[3-[bis(3-methylbutyl)amino]propyl]aniline (CID 107870230) is 2-[3-[bis(3-methylbutyl)amino]propyl]aniline.
What is the SMILES notation for 2-[3-[bis(3-methylbutyl)amino]propyl]aniline?
The canonical SMILES for 2-[3-[bis(3-methylbutyl)amino]propyl]aniline is CC(C)CCN(CCCc1ccccc1N)CCC(C)C.
What is the InChIKey of 2-[3-[bis(3-methylbutyl)amino]propyl]aniline?
The InChIKey is MIKACRUBEMTSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-16(2)11-14-21(15-12-17(3)4)13-7-9-18-8-5-6-10-19(18)20/h5-6,8,10,16-17H,7,9,11-15,20H2,1-4H3.
What are the key properties of 2-[3-[bis(3-methylbutyl)amino]propyl]aniline?
2-[3-[bis(3-methylbutyl)amino]propyl]aniline has a molecular weight of 290.49 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(3-methylbutyl)amino]propyl]aniline is sourced from PubChem (CID 107870230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).