2-(5-butylnonan-5-yl)benzene-1,3-diamine

C19H34N2 — CID 150755453

IUPAC2-(5-butylnonan-5-yl)benzene-1,3-diamine
SMILESCCCCC(CCCC)(CCCC)c1c(N)cccc1N
InChIInChI=1S/C19H34N2/c1-4-7-13-19(14-8-5-2,15-9-6-3)18-16(20)11-10-12-17(18)21/h10-12H,4-9,13-15,20-21H2,1-3H3
InChIKeyJWTBSBXTQQPVQV-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.66
Rot. Bonds10

About 2-(5-butylnonan-5-yl)benzene-1,3-diamine

2-(5-butylnonan-5-yl)benzene-1,3-diamine (PubChem CID 150755453) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-(5-butylnonan-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(5-butylnonan-5-yl)benzene-1,3-diamine
PubChem CID150755453
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-(5-butylnonan-5-yl)benzene-1,3-diamine
SMILESCCCCC(CCCC)(CCCC)c1c(N)cccc1N
InChIInChI=1S/C19H34N2/c1-4-7-13-19(14-8-5-2,15-9-6-3)18-16(20)11-10-12-17(18)21/h10-12H,4-9,13-15,20-21H2,1-3H3
InChIKeyJWTBSBXTQQPVQV-UHFFFAOYSA-N
XLogP5.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(5-propylnonan-5-yl)phenol
CID 174819612
2-decylbenzene-1,3-diamine
CID 141061522
5-butylhexadecan-5-ylbenzene
CID 173084700
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
benzene-1,2-diamine;butan-1-ol;dihydrochloride
CID 174374290
1,1-diphenylpentan-1-amine
CID 10263654
benzene-1,2-diamine;decan-1-amine
CID 174921659
1-(2,6-diaminophenyl)ethane-1,1-dithiol
CID 141077902
4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609
3-hexadecylbenzene-1,2-diamine
CID 21486063

Frequently Asked Questions

What is the IUPAC name of 2-(5-butylnonan-5-yl)benzene-1,3-diamine?
The IUPAC name of 2-(5-butylnonan-5-yl)benzene-1,3-diamine (CID 150755453) is 2-(5-butylnonan-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 2-(5-butylnonan-5-yl)benzene-1,3-diamine?
The canonical SMILES for 2-(5-butylnonan-5-yl)benzene-1,3-diamine is CCCCC(CCCC)(CCCC)c1c(N)cccc1N.
What is the InChIKey of 2-(5-butylnonan-5-yl)benzene-1,3-diamine?
The InChIKey is JWTBSBXTQQPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-7-13-19(14-8-5-2,15-9-6-3)18-16(20)11-10-12-17(18)21/h10-12H,4-9,13-15,20-21H2,1-3H3.
What are the key properties of 2-(5-butylnonan-5-yl)benzene-1,3-diamine?
2-(5-butylnonan-5-yl)benzene-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butylnonan-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 150755453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).