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

C14H31NS — CID 143342682

IUPACethane;(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.CC.CC
InChIInChI=1S/C10H19NS.2C2H6/c1-6-7-10(8-11-3)9(2)12(4)5;2*1-2/h6-7,11H,4,8H2,1-3,5H3;2*1-2H3/b7-6-,10-9-;;
InChIKeyUPGPXBKKABXQNM-JFHYDWJLSA-N
MW245.48 g/mol
LogP4.44
Rot. Bonds4

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

ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine (PubChem CID 143342682) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine
PubChem CID143342682
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Nameethane;(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.CC.CC
InChIInChI=1S/C10H19NS.2C2H6/c1-6-7-10(8-11-3)9(2)12(4)5;2*1-2/h6-7,11H,4,8H2,1-3,5H3;2*1-2H3/b7-6-,10-9-;;
InChIKeyUPGPXBKKABXQNM-JFHYDWJLSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.44
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'}

Analyze ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine with MolForge

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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;(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
ethane;(3E)-N-methyl-2-methylidene-4-(methylsulfanylmethyl)hexa-3,5-dien-1-amine
CID 144470946

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The IUPAC name of ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine (CID 143342682) is ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine.
What is the SMILES notation for ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The canonical SMILES for ethane;(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.CC.CC.
What is the InChIKey of ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
The InChIKey is UPGPXBKKABXQNM-JFHYDWJLSA-N. The full InChI is InChI=1S/C10H19NS.2C2H6/c1-6-7-10(8-11-3)9(2)12(4)5;2*1-2/h6-7,11H,4,8H2,1-3,5H3;2*1-2H3/b7-6-,10-9-;;.
What are the key properties of ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine?
ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine has a molecular weight of 245.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-λ4-sulfanyl]ethylidene]pent-3-en-1-amine is sourced from PubChem (CID 143342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).