2,3-dihexylbenzene-1,4-diamine

C18H32N2 — CID 18324632

IUPAC2,3-dihexylbenzene-1,4-diamine
SMILESCCCCCCc1c(N)ccc(N)c1CCCCCC
InChIInChI=1S/C18H32N2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14H,3-12,19-20H2,1-2H3
InChIKeyXLXUBWHQVIDNAK-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.10
Rot. Bonds10

About 2,3-dihexylbenzene-1,4-diamine

2,3-dihexylbenzene-1,4-diamine (PubChem CID 18324632) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2,3-dihexylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3-dihexylbenzene-1,4-diamine
PubChem CID18324632
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2,3-dihexylbenzene-1,4-diamine
SMILESCCCCCCc1c(N)ccc(N)c1CCCCCC
InChIInChI=1S/C18H32N2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14H,3-12,19-20H2,1-2H3
InChIKeyXLXUBWHQVIDNAK-UHFFFAOYSA-N
XLogP5.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decylbenzene-1,3-diamine
CID 141061522
2,4-dihexyl-3-methylaniline
CID 174875923
2,4-dimethyl-3-pentylaniline
CID 68571869
4-bromo-3-methyl-2-pentylaniline
CID 70568327
3-amino-2-decylphenol
CID 70595254
1-octylanthracen-2-amine
CID 87887472
2,3-dibutyl-4-methoxyaniline
CID 175061118
4-fluoro-3-pentylbenzene-1,2-diamine
CID 66930645
4-heptyl-2-methylaniline
CID 23348805
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039
10-octylanthracen-9-amine
CID 87887624
1-hexyl-9H-fluoren-2-amine
CID 57359668

Frequently Asked Questions

What is the IUPAC name of 2,3-dihexylbenzene-1,4-diamine?
The IUPAC name of 2,3-dihexylbenzene-1,4-diamine (CID 18324632) is 2,3-dihexylbenzene-1,4-diamine.
What is the SMILES notation for 2,3-dihexylbenzene-1,4-diamine?
The canonical SMILES for 2,3-dihexylbenzene-1,4-diamine is CCCCCCc1c(N)ccc(N)c1CCCCCC.
What is the InChIKey of 2,3-dihexylbenzene-1,4-diamine?
The InChIKey is XLXUBWHQVIDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14H,3-12,19-20H2,1-2H3.
What are the key properties of 2,3-dihexylbenzene-1,4-diamine?
2,3-dihexylbenzene-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexylbenzene-1,4-diamine is sourced from PubChem (CID 18324632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).