N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

C15H28N2O — CID 62262396

IUPACN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1(CNCCC)CCOC1
InChIInChI=1S/C15H28N2O/c1-4-8-16-12-15(7-11-18-14-15)13-17(9-5-2)10-6-3/h5-6,16H,2-4,7-14H2,1H3
InChIKeyUMQMFAGMYQZDGM-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.07
Rot. Bonds10

About N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62262396) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62262396
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESC=CCN(CC=C)CC1(CNCCC)CCOC1
InChIInChI=1S/C15H28N2O/c1-4-8-16-12-15(7-11-18-14-15)13-17(9-5-2)10-6-3/h5-6,16H,2-4,7-14H2,1H3
InChIKeyUMQMFAGMYQZDGM-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62262396) is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is C=CCN(CC=C)CC1(CNCCC)CCOC1.
What is the InChIKey of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is UMQMFAGMYQZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-8-16-12-15(7-11-18-14-15)13-17(9-5-2)10-6-3/h5-6,16H,2-4,7-14H2,1H3.
What are the key properties of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62262396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).