3,4-dibutylbenzene-1,2-diamine

C14H24N2 — CID 18764845

IUPAC3,4-dibutylbenzene-1,2-diamine
SMILESCCCCc1ccc(N)c(N)c1CCCC
InChIInChI=1S/C14H24N2/c1-3-5-7-11-9-10-13(15)14(16)12(11)8-6-4-2/h9-10H,3-8,15-16H2,1-2H3
InChIKeyURMUVZVHUJIRJS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.54
Rot. Bonds6

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

3,4-dibutylbenzene-1,2-diamine (PubChem CID 18764845) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,4-dibutylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-dibutylbenzene-1,2-diamine
PubChem CID18764845
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,4-dibutylbenzene-1,2-diamine
SMILESCCCCc1ccc(N)c(N)c1CCCC
InChIInChI=1S/C14H24N2/c1-3-5-7-11-9-10-13(15)14(16)12(11)8-6-4-2/h9-10H,3-8,15-16H2,1-2H3
InChIKeyURMUVZVHUJIRJS-UHFFFAOYSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.54
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

azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
1,2,3,4-tetrabutylbenzene
CID 11220391
3-butyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 175271914
4-fluoro-3-pentylbenzene-1,2-diamine
CID 66930645
2,4-dihexyl-3-methylaniline
CID 174875923
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2,3-dihexylbenzene-1,4-diamine
CID 18324632
1,2,3-tributylbenzene;hydrate
CID 172716323
(2,3-dibutylphenyl)phosphane
CID 19901991
2-methyl-3,4-dipropylaniline
CID 70515438
2,4-dimethyl-3-pentylaniline
CID 68571869
1-but-2-enyl-2,3,4-tributylbenzene
CID 139617866

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutylbenzene-1,2-diamine?
The IUPAC name of 3,4-dibutylbenzene-1,2-diamine (CID 18764845) is 3,4-dibutylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-dibutylbenzene-1,2-diamine?
The canonical SMILES for 3,4-dibutylbenzene-1,2-diamine is CCCCc1ccc(N)c(N)c1CCCC.
What is the InChIKey of 3,4-dibutylbenzene-1,2-diamine?
The InChIKey is URMUVZVHUJIRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-7-11-9-10-13(15)14(16)12(11)8-6-4-2/h9-10H,3-8,15-16H2,1-2H3.
What are the key properties of 3,4-dibutylbenzene-1,2-diamine?
3,4-dibutylbenzene-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutylbenzene-1,2-diamine is sourced from PubChem (CID 18764845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).