(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine

C10H17NS — CID 143367833

IUPAC(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
SMILESC=C(C)/C(C(=C)NC)=C(/C)SC
InChIInChI=1S/C10H17NS/c1-7(2)10(8(3)11-5)9(4)12-6/h11H,1,3H2,2,4-6H3/b10-9+
InChIKeyNKIFOXJJEHVEJN-MDZDMXLPSA-N
MW183.32 g/mol
LogP2.93
Rot. Bonds4

About (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine

(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine (PubChem CID 143367833) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
PubChem CID143367833
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
SMILESC=C(C)/C(C(=C)NC)=C(/C)SC
InChIInChI=1S/C10H17NS/c1-7(2)10(8(3)11-5)9(4)12-6/h11H,1,3H2,2,4-6H3/b10-9+
InChIKeyNKIFOXJJEHVEJN-MDZDMXLPSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
(E)-3-(methylamino)-4-methylsulfanylpent-3-en-2-one
CID 129153541
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
methyl 2-methylprop-2-enedithioate
CID 15178428
(1Z,3E)-N-methyl-3-methylsulfanyl-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 163392986
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
4-methyl-3-methylsulfanylpenta-1,2,4-triene
CID 89172686
1,3-dimethyl-1-(1-methylsulfanylethenyl)urea
CID 155064860
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine
CID 142074125

Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine (CID 143367833) is (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine is C=C(C)/C(C(=C)NC)=C(/C)SC.
What is the InChIKey of (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The InChIKey is NKIFOXJJEHVEJN-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)10(8(3)11-5)9(4)12-6/h11H,1,3H2,2,4-6H3/b10-9+.
What are the key properties of (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine?
(3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine has a molecular weight of 183.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-4-methylsulfanyl-3-prop-1-en-2-ylpenta-1,3-dien-2-amine is sourced from PubChem (CID 143367833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).