(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine

C8H17NS — CID 167047707

IUPAC(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCC(C)S/C=C/CN(C)C
InChIInChI=1S/C8H17NS/c1-8(2)10-7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+
InChIKeyNFLHNUJSKXICHJ-FNORWQNLSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds4

About (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine

(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine (PubChem CID 167047707) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
PubChem CID167047707
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCC(C)S/C=C/CN(C)C
InChIInChI=1S/C8H17NS/c1-8(2)10-7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+
InChIKeyNFLHNUJSKXICHJ-FNORWQNLSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine (CID 167047707) is (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine is CC(C)S/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The InChIKey is NFLHNUJSKXICHJ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)10-7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 167047707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).