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

C18H28N2S — CID 88789049

IUPAC1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)SC(C=C)N(CC=C)CC=C
InChIInChI=1S/C18H28N2S/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h7-12,17-18H,1-6,13-16H2
InChIKeyHUJHHHIOPLSITE-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.09
Rot. Bonds14

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

1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine (PubChem CID 88789049) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
PubChem CID88789049
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)SC(C=C)N(CC=C)CC=C
InChIInChI=1S/C18H28N2S/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h7-12,17-18H,1-6,13-16H2
InChIKeyHUJHHHIOPLSITE-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine (CID 88789049) is 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine is C=CCN(CC=C)C(C=C)SC(C=C)N(CC=C)CC=C.
What is the InChIKey of 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The InChIKey is HUJHHHIOPLSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h7-12,17-18H,1-6,13-16H2.
What are the key properties of 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine has a molecular weight of 304.50 g/mol, XLogP of 4.09, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(prop-2-enyl)amino]prop-2-enylsulfanyl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 88789049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).