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

C18H30N2O — CID 121331719

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1
InChIInChI=1S/C18H30N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyINMXKUGOKPBKMI-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.88
Rot. Bonds12

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

N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 121331719) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID121331719
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1
InChIInChI=1S/C18H30N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyINMXKUGOKPBKMI-UHFFFAOYSA-N
XLogP2.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
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 N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 121331719) is N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1CCC(CN(CC=C)CC=C)O1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is INMXKUGOKPBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-11-19(12-6-2)15-17-9-10-18(21-17)16-20(13-7-3)14-8-4/h5-8,17-18H,1-4,9-16H2.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 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]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 121331719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).