(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine

C10H21NS — CID 163568197

IUPAC(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine
SMILESC=C(SC)N(CC)[C@H](C)C(C)C
InChIInChI=1S/C10H21NS/c1-7-11(10(5)12-6)9(4)8(2)3/h8-9H,5,7H2,1-4,6H3/t9-/m1/s1
InChIKeyFWZWABADUSJMDL-SECBINFHSA-N
MW187.35 g/mol
LogP3.19
Rot. Bonds5

About (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine

(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine (PubChem CID 163568197) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine
PubChem CID163568197
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine
SMILESC=C(SC)N(CC)[C@H](C)C(C)C
InChIInChI=1S/C10H21NS/c1-7-11(10(5)12-6)9(4)8(2)3/h8-9H,5,7H2,1-4,6H3/t9-/m1/s1
InChIKeyFWZWABADUSJMDL-SECBINFHSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine?
The IUPAC name of (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine (CID 163568197) is (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine.
What is the SMILES notation for (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine?
The canonical SMILES for (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine is C=C(SC)N(CC)[C@H](C)C(C)C.
What is the InChIKey of (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine?
The InChIKey is FWZWABADUSJMDL-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NS/c1-7-11(10(5)12-6)9(4)8(2)3/h8-9H,5,7H2,1-4,6H3/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine?
(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine is sourced from PubChem (CID 163568197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).