(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine

C9H19NS — CID 129207404

IUPAC(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
SMILESCCC(C)S/C(=C\N)C(C)C
InChIInChI=1S/C9H19NS/c1-5-8(4)11-9(6-10)7(2)3/h6-8H,5,10H2,1-4H3/b9-6-
InChIKeyQHEGOLJWSOKADK-TWGQIWQCSA-N
MW173.32 g/mol
LogP2.97
Rot. Bonds4

About (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine

(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine (PubChem CID 129207404) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
PubChem CID129207404
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
SMILESCCC(C)S/C(=C\N)C(C)C
InChIInChI=1S/C9H19NS/c1-5-8(4)11-9(6-10)7(2)3/h6-8H,5,10H2,1-4H3/b9-6-
InChIKeyQHEGOLJWSOKADK-TWGQIWQCSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine (CID 129207404) is (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine is CCC(C)S/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine?
The InChIKey is QHEGOLJWSOKADK-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-8(4)11-9(6-10)7(2)3/h6-8H,5,10H2,1-4H3/b9-6-.
What are the key properties of (Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine?
(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine has a molecular weight of 173.32 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)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine is sourced from PubChem (CID 129207404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).