(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine

C8H14N2S — CID 88889140

IUPAC(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine
SMILESC=C(CN)S/C=C(N)/C=C\C
InChIInChI=1S/C8H14N2S/c1-3-4-8(10)6-11-7(2)5-9/h3-4,6H,2,5,9-10H2,1H3/b4-3-,8-6-
InChIKeyMBEQHVUQYPNNIM-XYMCEGRYSA-N
MW170.28 g/mol
LogP1.57
Rot. Bonds4

About (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine

(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine (PubChem CID 88889140) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine
PubChem CID88889140
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine
SMILESC=C(CN)S/C=C(N)/C=C\C
InChIInChI=1S/C8H14N2S/c1-3-4-8(10)6-11-7(2)5-9/h3-4,6H,2,5,9-10H2,1H3/b4-3-,8-6-
InChIKeyMBEQHVUQYPNNIM-XYMCEGRYSA-N
XLogP1.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine?
The IUPAC name of (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine (CID 88889140) is (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine?
The canonical SMILES for (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine is C=C(CN)S/C=C(N)/C=C\C.
What is the InChIKey of (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine?
The InChIKey is MBEQHVUQYPNNIM-XYMCEGRYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-8(10)6-11-7(2)5-9/h3-4,6H,2,5,9-10H2,1H3/b4-3-,8-6-.
What are the key properties of (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine?
(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 88889140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).