(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine

C7H13NS2 — CID 167106616

IUPAC(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine
SMILESCNC/C=C\C=C\SSC
InChIInChI=1S/C7H13NS2/c1-8-6-4-3-5-7-10-9-2/h3-5,7-8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyUKCVCRVIWCIDKT-QVXLNCAUSA-N
MW175.32 g/mol
LogP2.29
Rot. Bonds5

About (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine

(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine (PubChem CID 167106616) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine
PubChem CID167106616
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine
SMILESCNC/C=C\C=C\SSC
InChIInChI=1S/C7H13NS2/c1-8-6-4-3-5-7-10-9-2/h3-5,7-8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyUKCVCRVIWCIDKT-QVXLNCAUSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine (CID 167106616) is (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine is CNC/C=C\C=C\SSC.
What is the InChIKey of (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine?
The InChIKey is UKCVCRVIWCIDKT-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H13NS2/c1-8-6-4-3-5-7-10-9-2/h3-5,7-8H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine?
(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine has a molecular weight of 175.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 167106616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).