4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine

C14H26N2O — CID 66256569

IUPAC4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1NCCC
InChIInChI=1S/C14H26N2O/c1-4-7-15-14-12-17-11-13(14)10-16(8-5-2)9-6-3/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyFDHKFDINXIGCDN-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.67
Rot. Bonds9

About 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine

4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 66256569) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID66256569
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1NCCC
InChIInChI=1S/C14H26N2O/c1-4-7-15-14-12-17-11-13(14)10-16(8-5-2)9-6-3/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyFDHKFDINXIGCDN-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine (CID 66256569) is 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine is C=CCN(CC=C)CC1COCC1NCCC.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is FDHKFDINXIGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-7-15-14-12-17-11-13(14)10-16(8-5-2)9-6-3/h5-6,13-15H,2-4,7-12H2,1H3.
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66256569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).