4-butylbenzene-1,2-diamine

C10H16N2 — CID 19313

IUPAC4-butylbenzene-1,2-diamine
SMILESCCCCc1ccc(N)c(N)c1
InChIInChI=1S/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3
InChIKeyWQEGHHLKDKIWKM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.19
Rot. Bonds3

About 4-butylbenzene-1,2-diamine

4-butylbenzene-1,2-diamine (PubChem CID 19313) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-butylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-butylbenzene-1,2-diamine
PubChem CID19313
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-butylbenzene-1,2-diamine
SMILESCCCCc1ccc(N)c(N)c1
InChIInChI=1S/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3
InChIKeyWQEGHHLKDKIWKM-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylbenzene-1,2-diamine?
The IUPAC name of 4-butylbenzene-1,2-diamine (CID 19313) is 4-butylbenzene-1,2-diamine.
What is the SMILES notation for 4-butylbenzene-1,2-diamine?
The canonical SMILES for 4-butylbenzene-1,2-diamine is CCCCc1ccc(N)c(N)c1.
What is the InChIKey of 4-butylbenzene-1,2-diamine?
The InChIKey is WQEGHHLKDKIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3.
What are the key properties of 4-butylbenzene-1,2-diamine?
4-butylbenzene-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylbenzene-1,2-diamine is sourced from PubChem (CID 19313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).