3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine

C11H20N2O — CID 64893026

IUPAC3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=CCN(CC=C)CC1(N)CCOC1
InChIInChI=1S/C11H20N2O/c1-3-6-13(7-4-2)9-11(12)5-8-14-10-11/h3-4H,1-2,5-10,12H2
InChIKeySAZQCCREFQVBRT-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.78
Rot. Bonds6

About 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine

3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine (PubChem CID 64893026) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
PubChem CID64893026
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=CCN(CC=C)CC1(N)CCOC1
InChIInChI=1S/C11H20N2O/c1-3-6-13(7-4-2)9-11(12)5-8-14-10-11/h3-4H,1-2,5-10,12H2
InChIKeySAZQCCREFQVBRT-UHFFFAOYSA-N
XLogP0.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 65385562
CID 65385562
CID 117629270
CID 117629270
CID 117629271
CID 117629271
CID 117629272
CID 117629272
CID 132048676
CID 132048676
CID 64893230
CID 64893230
CID 66237924
CID 66237924
CID 79278632
CID 79278632
CID 81811162
CID 81811162
CID 81811340
CID 81811340
CID 81811540
CID 81811540
CID 81811704
CID 81811704

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine (CID 64893026) is 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine is C=CCN(CC=C)CC1(N)CCOC1.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
The InChIKey is SAZQCCREFQVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-6-13(7-4-2)9-11(12)5-8-14-10-11/h3-4H,1-2,5-10,12H2.
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).