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

C16H30N2O — CID 62262399

IUPACN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C16H30N2O/c1-5-8-18(9-6-2)13-16(7-10-19-14-16)12-17-11-15(3)4/h5-6,15,17H,1-2,7-14H2,3-4H3
InChIKeyPXTJIBPIDBWTMI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.31
Rot. Bonds10

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

N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62262399) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62262399
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C16H30N2O/c1-5-8-18(9-6-2)13-16(7-10-19-14-16)12-17-11-15(3)4/h5-6,15,17H,1-2,7-14H2,3-4H3
InChIKeyPXTJIBPIDBWTMI-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 62262399) is N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is C=CCN(CC=C)CC1(CNCC(C)C)CCOC1.
What is the InChIKey of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PXTJIBPIDBWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-8-18(9-6-2)13-16(7-10-19-14-16)12-17-11-15(3)4/h5-6,15,17H,1-2,7-14H2,3-4H3.
What are the key properties of N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.31, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62262399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).