N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C15H28N2O — CID 62437687

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1CCC(CNCCC)O1
InChIInChI=1S/C15H28N2O/c1-4-9-16-12-14-7-8-15(18-14)13-17(10-5-2)11-6-3/h5-6,14-16H,2-4,7-13H2,1H3
InChIKeyAEMHLEOCLLSVEY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.21
Rot. Bonds10

About N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62437687) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62437687
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1CCC(CNCCC)O1
InChIInChI=1S/C15H28N2O/c1-4-9-16-12-14-7-8-15(18-14)13-17(10-5-2)11-6-3/h5-6,14-16H,2-4,7-13H2,1H3
InChIKeyAEMHLEOCLLSVEY-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62443251
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62419666
N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63234318
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
CID 79490040
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62437687) is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is C=CCN(CC=C)CC1CCC(CNCCC)O1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is AEMHLEOCLLSVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-9-16-12-14-7-8-15(18-14)13-17(10-5-2)11-6-3/h5-6,14-16H,2-4,7-13H2,1H3.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62437687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).