2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine

C11H22N2O — CID 114616000

IUPAC2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)CNC(C)(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3
InChIKeyCSMMWRKHTZVYBU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.91
Rot. Bonds5

About 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine

2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 114616000) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
PubChem CID114616000
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)CNC(C)(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3
InChIKeyCSMMWRKHTZVYBU-UHFFFAOYSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine (CID 114616000) is 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine is C=C(C)CNC(C)(CN)C1CCOC1.
What is the InChIKey of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is CSMMWRKHTZVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3.
What are the key properties of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 114616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).