(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine

C10H23NS — CID 166863049

IUPAC(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine
SMILESC/C(=C\N(C)C(C)C)S(C)(C)C
InChIInChI=1S/C10H23NS/c1-9(2)11(4)8-10(3)12(5,6)7/h8-9H,1-7H3/b10-8+
InChIKeyKEUMPWDYGUNUBH-CSKARUKUSA-N
MW189.37 g/mol
LogP2.88
Rot. Bonds3

About (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine

(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine (PubChem CID 166863049) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine
PubChem CID166863049
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine
SMILESC/C(=C\N(C)C(C)C)S(C)(C)C
InChIInChI=1S/C10H23NS/c1-9(2)11(4)8-10(3)12(5,6)7/h8-9H,1-7H3/b10-8+
InChIKeyKEUMPWDYGUNUBH-CSKARUKUSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine?
The IUPAC name of (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine (CID 166863049) is (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine is C/C(=C\N(C)C(C)C)S(C)(C)C.
What is the InChIKey of (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine?
The InChIKey is KEUMPWDYGUNUBH-CSKARUKUSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2)11(4)8-10(3)12(5,6)7/h8-9H,1-7H3/b10-8+.
What are the key properties of (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine?
(E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-propan-2-yl-2-(trimethyl-λ4-sulfanyl)prop-1-en-1-amine is sourced from PubChem (CID 166863049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).