N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine

C10H17NS — CID 155349262

IUPACN,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine
SMILESC=C(C)SC(C(=C)NC)=C(C)C
InChIInChI=1S/C10H17NS/c1-7(2)10(9(5)11-6)12-8(3)4/h11H,3,5H2,1-2,4,6H3
InChIKeyYKTRMAKOZLDGIV-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.28
Rot. Bonds4

About N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine

N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine (PubChem CID 155349262) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine
PubChem CID155349262
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine
SMILESC=C(C)SC(C(=C)NC)=C(C)C
InChIInChI=1S/C10H17NS/c1-7(2)10(9(5)11-6)12-8(3)4/h11H,3,5H2,1-2,4,6H3
InChIKeyYKTRMAKOZLDGIV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine?
The IUPAC name of N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine (CID 155349262) is N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine.
What is the SMILES notation for N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine?
The canonical SMILES for N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine is C=C(C)SC(C(=C)NC)=C(C)C.
What is the InChIKey of N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine?
The InChIKey is YKTRMAKOZLDGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)10(9(5)11-6)12-8(3)4/h11H,3,5H2,1-2,4,6H3.
What are the key properties of N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine?
N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine has a molecular weight of 183.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-prop-1-en-2-ylsulfanylpenta-1,3-dien-2-amine is sourced from PubChem (CID 155349262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).