4-propan-2-ylbenzene-1,2-diamine

C9H14N2 — CID 5097028

IUPAC4-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1ccc(N)c(N)c1
InChIInChI=1S/C9H14N2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,10-11H2,1-2H3
InChIKeyBGXBPVBZNZKDHH-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.97
Rot. Bonds1

About 4-propan-2-ylbenzene-1,2-diamine

4-propan-2-ylbenzene-1,2-diamine (PubChem CID 5097028) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-propan-2-ylbenzene-1,2-diamine
PubChem CID5097028
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1ccc(N)c(N)c1
InChIInChI=1S/C9H14N2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,10-11H2,1-2H3
InChIKeyBGXBPVBZNZKDHH-UHFFFAOYSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.97
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-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-propan-2-ylbenzene-1,2-diamine (CID 5097028) is 4-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-propan-2-ylbenzene-1,2-diamine is CC(C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-propan-2-ylbenzene-1,2-diamine?
The InChIKey is BGXBPVBZNZKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,10-11H2,1-2H3.
What are the key properties of 4-propan-2-ylbenzene-1,2-diamine?
4-propan-2-ylbenzene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 5097028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).