4,6-dicyclopropyl-3-methylbenzene-1,2-diamine

C13H18N2 — CID 124706868

IUPAC4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
SMILESCc1c(C2CC2)cc(C2CC2)c(N)c1N
InChIInChI=1S/C13H18N2/c1-7-10(8-2-3-8)6-11(9-4-5-9)13(15)12(7)14/h6,8-9H,2-5,14-15H2,1H3
InChIKeyUMSTYKMPQBSKRH-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.91
Rot. Bonds2

About 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine

4,6-dicyclopropyl-3-methylbenzene-1,2-diamine (PubChem CID 124706868) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
PubChem CID124706868
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
SMILESCc1c(C2CC2)cc(C2CC2)c(N)c1N
InChIInChI=1S/C13H18N2/c1-7-10(8-2-3-8)6-11(9-4-5-9)13(15)12(7)14/h6,8-9H,2-5,14-15H2,1H3
InChIKeyUMSTYKMPQBSKRH-UHFFFAOYSA-N
XLogP2.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.91
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 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine?
The IUPAC name of 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine (CID 124706868) is 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine?
The canonical SMILES for 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine is Cc1c(C2CC2)cc(C2CC2)c(N)c1N.
What is the InChIKey of 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine?
The InChIKey is UMSTYKMPQBSKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-7-10(8-2-3-8)6-11(9-4-5-9)13(15)12(7)14/h6,8-9H,2-5,14-15H2,1H3.
What are the key properties of 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine?
4,6-dicyclopropyl-3-methylbenzene-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclopropyl-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 124706868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).