(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine

C11H21NS — CID 164570604

IUPAC(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N(/C=C\CC)CCCSC
InChIInChI=1S/C11H21NS/c1-5-6-8-12(11(2)3)9-7-10-13-4/h6,8H,2,5,7,9-10H2,1,3-4H3/b8-6-
InChIKeyCMYYIKCFTWCCCA-VURMDHGXSA-N
MW199.36 g/mol
LogP3.50
Rot. Bonds7

About (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine

(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine (PubChem CID 164570604) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine
PubChem CID164570604
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N(/C=C\CC)CCCSC
InChIInChI=1S/C11H21NS/c1-5-6-8-12(11(2)3)9-7-10-13-4/h6,8H,2,5,7,9-10H2,1,3-4H3/b8-6-
InChIKeyCMYYIKCFTWCCCA-VURMDHGXSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-thiazocine
CID 68315603
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
2,3,4-Trimethyl-2,3,7,8-tetrahydro-1,4-thiazocine
CID 77476556
N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88860373
N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89198364
4-Methyl-5-methylidene-6,7-dihydro-1,4-thiazepine
CID 91536003
3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine
CID 118198827
N,N-dimethyl-4-methylsulfanylhexa-1,5-dien-2-amine
CID 138600963
N,N-dimethyl-4-methylsulfanylhepta-1,2,6-trien-3-amine
CID 138631757
N-but-3-enyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 139357838
N,N-dimethyl-4-methylsulfanylhepta-1,5,6-trien-2-amine
CID 139383038

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine?
The IUPAC name of (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine (CID 164570604) is (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine is C=C(C)N(/C=C\CC)CCCSC.
What is the InChIKey of (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine?
The InChIKey is CMYYIKCFTWCCCA-VURMDHGXSA-N. The full InChI is InChI=1S/C11H21NS/c1-5-6-8-12(11(2)3)9-7-10-13-4/h6,8H,2,5,7,9-10H2,1,3-4H3/b8-6-.
What are the key properties of (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine?
(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine is sourced from PubChem (CID 164570604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).