(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine

C8H16N2S — CID 89331654

IUPAC(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine
SMILESC=C(NC(C)/C=C(/C)N)SC
InChIInChI=1S/C8H16N2S/c1-6(9)5-7(2)10-8(3)11-4/h5,7,10H,3,9H2,1-2,4H3/b6-5-
InChIKeyHELZUUFQTSSHAX-WAYWQWQTSA-N
MW172.30 g/mol
LogP1.66
Rot. Bonds4

About (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine

(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine (PubChem CID 89331654) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine.

Molecular Properties

Compound Name(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine
PubChem CID89331654
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine
SMILESC=C(NC(C)/C=C(/C)N)SC
InChIInChI=1S/C8H16N2S/c1-6(9)5-7(2)10-8(3)11-4/h5,7,10H,3,9H2,1-2,4H3/b6-5-
InChIKeyHELZUUFQTSSHAX-WAYWQWQTSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine?
The IUPAC name of (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine (CID 89331654) is (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine.
What is the SMILES notation for (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine?
The canonical SMILES for (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine is C=C(NC(C)/C=C(/C)N)SC.
What is the InChIKey of (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine?
The InChIKey is HELZUUFQTSSHAX-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6(9)5-7(2)10-8(3)11-4/h5,7,10H,3,9H2,1-2,4H3/b6-5-.
What are the key properties of (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine?
(Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine has a molecular weight of 172.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-(1-methylsulfanylethenyl)pent-2-ene-2,4-diamine is sourced from PubChem (CID 89331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).