(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine

C13H25NS — CID 143845022

IUPAC(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine
SMILESC=C(C)S/C=C(\C)CN(CCC)CCC
InChIInChI=1S/C13H25NS/c1-6-8-14(9-7-2)10-13(5)11-15-12(3)4/h11H,3,6-10H2,1-2,4-5H3/b13-11+
InChIKeyNLIBOTZFNBNJPP-ACCUITESSA-N
MW227.42 g/mol
LogP4.28
Rot. Bonds8

About (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine

(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine (PubChem CID 143845022) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine
PubChem CID143845022
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine
SMILESC=C(C)S/C=C(\C)CN(CCC)CCC
InChIInChI=1S/C13H25NS/c1-6-8-14(9-7-2)10-13(5)11-15-12(3)4/h11H,3,6-10H2,1-2,4-5H3/b13-11+
InChIKeyNLIBOTZFNBNJPP-ACCUITESSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
Methyl(3-methylbut-3-en-1-yl)[2-(methylsulfanyl)ethyl]amine
CID 145867182
(2z)-2,3-bis(t-butyl-sulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 129749747
propyl N,N-bis(2-methylprop-2-enyl)carbamodithioate
CID 21430052
ethyl N-(2-methylprop-2-enyl)-N-(2-methylpropyl)carbamodithioate
CID 21430056
propyl N-(2-methylprop-2-enyl)-N-(2-methylpropyl)carbamodithioate
CID 21430058
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
2,3,5-Trimethyl-2,4-dihydro-1,3-thiazine
CID 89217846
(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
CID 89224851
N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
CID 123873898
1,3-Dimethyl-4-propan-2-ylsulfanyl-2,5-dihydropyrrole
CID 135164985
N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine
CID 135265910

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine (CID 143845022) is (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine is C=C(C)S/C=C(\C)CN(CCC)CCC.
What is the InChIKey of (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine?
The InChIKey is NLIBOTZFNBNJPP-ACCUITESSA-N. The full InChI is InChI=1S/C13H25NS/c1-6-8-14(9-7-2)10-13(5)11-15-12(3)4/h11H,3,6-10H2,1-2,4-5H3/b13-11+.
What are the key properties of (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine?
(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine has a molecular weight of 227.42 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine is sourced from PubChem (CID 143845022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).