3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine

C13H23NS — CID 118198827

IUPAC3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine
SMILESC=C(S/C=C\C)C(=C)N(CCC)CCC
InChIInChI=1S/C13H23NS/c1-6-9-14(10-7-2)12(4)13(5)15-11-8-3/h8,11H,4-7,9-10H2,1-3H3/b11-8-
InChIKeyLUKOPATZWBNFFK-FLIBITNWSA-N
MW225.40 g/mol
LogP4.40
Rot. Bonds8

About 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine

3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine (PubChem CID 118198827) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine
PubChem CID118198827
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine
SMILESC=C(S/C=C\C)C(=C)N(CCC)CCC
InChIInChI=1S/C13H23NS/c1-6-9-14(10-7-2)12(4)13(5)15-11-8-3/h8,11H,4-7,9-10H2,1-3H3/b11-8-
InChIKeyLUKOPATZWBNFFK-FLIBITNWSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine?
The IUPAC name of 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine (CID 118198827) is 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine.
What is the SMILES notation for 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine?
The canonical SMILES for 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine is C=C(S/C=C\C)C(=C)N(CCC)CCC.
What is the InChIKey of 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine?
The InChIKey is LUKOPATZWBNFFK-FLIBITNWSA-N. The full InChI is InChI=1S/C13H23NS/c1-6-9-14(10-7-2)12(4)13(5)15-11-8-3/h8,11H,4-7,9-10H2,1-3H3/b11-8-.
What are the key properties of 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine?
3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine has a molecular weight of 225.40 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine is sourced from PubChem (CID 118198827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).