1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine

C9H18N2O — CID 82835518

IUPAC1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)C1CCCO1
InChIInChI=1S/C9H18N2O/c1-2-5-11-8(7-10)9-4-3-6-12-9/h2,8-9,11H,1,3-7,10H2
InChIKeyDEBALXFFDPVOBM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.27
Rot. Bonds5

About 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine

1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 82835518) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID82835518
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)C1CCCO1
InChIInChI=1S/C9H18N2O/c1-2-5-11-8(7-10)9-4-3-6-12-9/h2,8-9,11H,1,3-7,10H2
InChIKeyDEBALXFFDPVOBM-UHFFFAOYSA-N
XLogP0.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.27
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 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine (CID 82835518) is 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNC(CN)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is DEBALXFFDPVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-5-11-8(7-10)9-4-3-6-12-9/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 82835518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).