3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine

C18H28N2O — CID 87395743

IUPAC3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine
SMILESC=CCN(CC=C)C(=C)COCC(=C)N(CC=C)CC=C
InChIInChI=1S/C18H28N2O/c1-7-11-19(12-8-2)17(5)15-21-16-18(6)20(13-9-3)14-10-4/h7-10H,1-6,11-16H2
InChIKeyODLYINMVLLAROU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds14

About 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine

3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine (PubChem CID 87395743) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine
PubChem CID87395743
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine
SMILESC=CCN(CC=C)C(=C)COCC(=C)N(CC=C)CC=C
InChIInChI=1S/C18H28N2O/c1-7-11-19(12-8-2)17(5)15-21-16-18(6)20(13-9-3)14-10-4/h7-10H,1-6,11-16H2
InChIKeyODLYINMVLLAROU-UHFFFAOYSA-N
XLogP3.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
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 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine?
The IUPAC name of 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine (CID 87395743) is 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine.
What is the SMILES notation for 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine?
The canonical SMILES for 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine is C=CCN(CC=C)C(=C)COCC(=C)N(CC=C)CC=C.
What is the InChIKey of 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine?
The InChIKey is ODLYINMVLLAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-7-11-19(12-8-2)17(5)15-21-16-18(6)20(13-9-3)14-10-4/h7-10H,1-6,11-16H2.
What are the key properties of 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine?
3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(prop-2-enyl)amino]prop-2-enoxy]-N,N-bis(prop-2-enyl)prop-1-en-2-amine is sourced from PubChem (CID 87395743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).