(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine

C9H21NS — CID 166764361

IUPAC(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine
SMILESC/C=C\CC(NC)S(C)(C)C
InChIInChI=1S/C9H21NS/c1-6-7-8-9(10-2)11(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6-
InChIKeyVRKZRTDFFCYWOF-SREVYHEPSA-N
MW175.34 g/mol
LogP2.19
Rot. Bonds4

About (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine

(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine (PubChem CID 166764361) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine
PubChem CID166764361
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine
SMILESC/C=C\CC(NC)S(C)(C)C
InChIInChI=1S/C9H21NS/c1-6-7-8-9(10-2)11(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6-
InChIKeyVRKZRTDFFCYWOF-SREVYHEPSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine (CID 166764361) is (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine is C/C=C\CC(NC)S(C)(C)C.
What is the InChIKey of (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine?
The InChIKey is VRKZRTDFFCYWOF-SREVYHEPSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-7-8-9(10-2)11(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6-.
What are the key properties of (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine?
(Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(trimethyl-λ4-sulfanyl)pent-3-en-1-amine is sourced from PubChem (CID 166764361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).