2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine

C15H23N3O2 — CID 83001604

IUPAC2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NC2CCN(C3CC3)C2)cc1OC
InChIInChI=1S/C15H23N3O2/c1-19-14-7-12(16)13(8-15(14)20-2)17-10-5-6-18(9-10)11-3-4-11/h7-8,10-11,17H,3-6,9,16H2,1-2H3
InChIKeyZOHJBSXZXXVWDM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds5

About 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83001604) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83001604
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NC2CCN(C3CC3)C2)cc1OC
InChIInChI=1S/C15H23N3O2/c1-19-14-7-12(16)13(8-15(14)20-2)17-10-5-6-18(9-10)11-3-4-11/h7-8,10-11,17H,3-6,9,16H2,1-2H3
InChIKeyZOHJBSXZXXVWDM-UHFFFAOYSA-N
XLogP1.93
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine (CID 83001604) is 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine is COc1cc(N)c(NC2CCN(C3CC3)C2)cc1OC.
What is the InChIKey of 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is ZOHJBSXZXXVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-14-7-12(16)13(8-15(14)20-2)17-10-5-6-18(9-10)11-3-4-11/h7-8,10-11,17H,3-6,9,16H2,1-2H3.
What are the key properties of 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 277.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83001604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).