(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine

C11H23NS2 — CID 121006465

IUPAC(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine
SMILESCC(C)S/C=C(/CN(C)C)SC(C)C
InChIInChI=1S/C11H23NS2/c1-9(2)13-8-11(7-12(5)6)14-10(3)4/h8-10H,7H2,1-6H3/b11-8-
InChIKeyABQTVKQEIGOGHX-FLIBITNWSA-N
MW233.45 g/mol
LogP3.67
Rot. Bonds6

About (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine

(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine (PubChem CID 121006465) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine
PubChem CID121006465
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine
SMILESCC(C)S/C=C(/CN(C)C)SC(C)C
InChIInChI=1S/C11H23NS2/c1-9(2)13-8-11(7-12(5)6)14-10(3)4/h8-10H,7H2,1-6H3/b11-8-
InChIKeyABQTVKQEIGOGHX-FLIBITNWSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine (CID 121006465) is (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine is CC(C)S/C=C(/CN(C)C)SC(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine?
The InChIKey is ABQTVKQEIGOGHX-FLIBITNWSA-N. The full InChI is InChI=1S/C11H23NS2/c1-9(2)13-8-11(7-12(5)6)14-10(3)4/h8-10H,7H2,1-6H3/b11-8-.
What are the key properties of (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine?
(Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine has a molecular weight of 233.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2,3-bis(propan-2-ylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 121006465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).