N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine

C8H15NS — CID 155471975

IUPACN,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
SMILESCNCC(C)=C=CCSC
InChIInChI=1S/C8H15NS/c1-8(7-9-2)5-4-6-10-3/h4,9H,6-7H2,1-3H3
InChIKeyMJMZDYJQVHZISH-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.67
Rot. Bonds4

About N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine

N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine (PubChem CID 155471975) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
PubChem CID155471975
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
SMILESCNCC(C)=C=CCSC
InChIInChI=1S/C8H15NS/c1-8(7-9-2)5-4-6-10-3/h4,9H,6-7H2,1-3H3
InChIKeyMJMZDYJQVHZISH-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine?
The IUPAC name of N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine (CID 155471975) is N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine.
What is the SMILES notation for N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine?
The canonical SMILES for N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine is CNCC(C)=C=CCSC.
What is the InChIKey of N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine?
The InChIKey is MJMZDYJQVHZISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(7-9-2)5-4-6-10-3/h4,9H,6-7H2,1-3H3.
What are the key properties of N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine?
N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine is sourced from PubChem (CID 155471975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).