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-[[(2S)-oxolan-2-yl]methyl]prop-2-en-1-amine
CID 28563259
N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine
CID 28563263
N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 43179299
N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 67976656
N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 67976693
N-[(2-methyloxolan-2-yl)methyl]prop-2-en-1-amine
CID 80171002
(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
CID 90119764
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
N-[[(2R,5S)-5-(propylaminomethyl)oxolan-2-yl]methyl]propan-1-amine
CID 117810263
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine;N-[[5-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 121331717
N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]propan-1-amine
CID 123557175

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).