(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine

C10H19NS — CID 143342683

IUPAC(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine
SMILESC=S(C)/C(C)=C(/C=C\C)CNC
InChIInChI=1S/C10H19NS/c1-6-7-10(8-11-3)9(2)12(4)5/h6-7,11H,4,8H2,1-3,5H3/b7-6-,10-9-
InChIKeyAAWNCIYBEFKAKH-HZJYTTRNSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds4

About (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine

(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine (PubChem CID 143342683) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine
PubChem CID143342683
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine
SMILESC=S(C)/C(C)=C(/C=C\C)CNC
InChIInChI=1S/C10H19NS/c1-6-7-10(8-11-3)9(2)12(4)5/h6-7,11H,4,8H2,1-3,5H3/b7-6-,10-9-
InChIKeyAAWNCIYBEFKAKH-HZJYTTRNSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine
CID 89293783
(1Z,3E)-2-methyl-5-(methylaminomethyl)hexa-1,3,5-triene-1-thiol
CID 122643297
(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide
CID 129262502
(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine
CID 134341037
Ethane;5-ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953486
5-Ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953487
6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine
CID 142074118
ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-lambda4-sulfanyl]ethylidene]pent-3-en-1-amine
CID 143342682
ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143601971
(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienethioamide
CID 143634493
1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-lambda4-sulfanyl)methyl]methanamine
CID 143706641

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The IUPAC name of (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine (CID 143342683) is (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine.
What is the SMILES notation for (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The canonical SMILES for (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine is C=S(C)/C(C)=C(/C=C\C)CNC.
What is the InChIKey of (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The InChIKey is AAWNCIYBEFKAKH-HZJYTTRNSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-7-10(8-11-3)9(2)12(4)5/h6-7,11H,4,8H2,1-3,5H3/b7-6-,10-9-.
What are the key properties of (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine is sourced from PubChem (CID 143342683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).