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

C9H17NS — CID 126583601

IUPAC(Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N/C=C(\SC)C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)9(11-5)6-10-8(3)4/h6-7,10H,3H2,1-2,4-5H3/b9-6-
InChIKeyCZNBMAFIDZOSCF-TWGQIWQCSA-N
MW171.31 g/mol
LogP2.97
Rot. Bonds4

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

(Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine (PubChem CID 126583601) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine
PubChem CID126583601
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N/C=C(\SC)C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)9(11-5)6-10-8(3)4/h6-7,10H,3H2,1-2,4-5H3/b9-6-
InChIKeyCZNBMAFIDZOSCF-TWGQIWQCSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

N-(1-fluoro-2-methylsulfanylethyl)-3-methylbut-1-en-2-amine
CID 166782850
3-methyl-4-methylsulfanyl-N-propan-2-ylbut-1-en-2-amine
CID 129201174
(Z)-N,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
CID 130224145
(Z)-N,3-dimethyl-2-methylsulfanylbut-1-en-1-amine
CID 132011706
N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine
CID 139430588
2-Methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane
CID 142258355
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane
CID 142258357
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine
CID 142258358
(Z)-N-methyl-1-propylsulfanylbut-1-en-2-amine
CID 142925921
ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 143646681
2-Ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 146609719
4-butylsulfanyl-N-ethylbut-1-en-2-amine
CID 153593517

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine (CID 126583601) is (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine is C=C(C)N/C=C(\SC)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The InChIKey is CZNBMAFIDZOSCF-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)9(11-5)6-10-8(3)4/h6-7,10H,3H2,1-2,4-5H3/b9-6-.
What are the key properties of (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine?
(Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-methylsulfanyl-N-prop-1-en-2-ylbut-1-en-1-amine is sourced from PubChem (CID 126583601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).