(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine

C10H16N2S — CID 126746842

IUPAC(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine
SMILESC=C/C=C\N/C(SC)=C(N)\C=C/C
InChIInChI=1S/C10H16N2S/c1-4-6-8-12-10(13-3)9(11)7-5-2/h4-8,12H,1,11H2,2-3H3/b7-5-,8-6-,10-9-
InChIKeyOYDODAUERQTJRX-HDKJAUSJSA-N
MW196.32 g/mol
LogP2.34
Rot. Bonds5

About (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine

(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine (PubChem CID 126746842) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine
PubChem CID126746842
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine
SMILESC=C/C=C\N/C(SC)=C(N)\C=C/C
InChIInChI=1S/C10H16N2S/c1-4-6-8-12-10(13-3)9(11)7-5-2/h4-8,12H,1,11H2,2-3H3/b7-5-,8-6-,10-9-
InChIKeyOYDODAUERQTJRX-HDKJAUSJSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.34
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-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine?
The IUPAC name of (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine (CID 126746842) is (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine is C=C/C=C\N/C(SC)=C(N)\C=C/C.
What is the InChIKey of (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine?
The InChIKey is OYDODAUERQTJRX-HDKJAUSJSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-6-8-12-10(13-3)9(11)7-5-2/h4-8,12H,1,11H2,2-3H3/b7-5-,8-6-,10-9-.
What are the key properties of (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine?
(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine is sourced from PubChem (CID 126746842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).