2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine

C11H25NS — CID 146660642

IUPAC2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
SMILESC=C(C)C(CC)CN(C)S(C)(C)C
InChIInChI=1S/C11H25NS/c1-8-11(10(2)3)9-12(4)13(5,6)7/h11H,2,8-9H2,1,3-7H3
InChIKeyRDIQRQDNTOVCOF-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.13
Rot. Bonds5

About 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine

2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine (PubChem CID 146660642) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
PubChem CID146660642
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
SMILESC=C(C)C(CC)CN(C)S(C)(C)C
InChIInChI=1S/C11H25NS/c1-8-11(10(2)3)9-12(4)13(5,6)7/h11H,2,8-9H2,1,3-7H3
InChIKeyRDIQRQDNTOVCOF-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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3-ethyl-2-methyldodec-1-ene
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3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
3-methyl-1-methylsulfonylbut-3-en-2-ol
CID 115817465
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
3-ethyl-5-oxohex-1-en-2-olate
CID 150529089
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
3-ethylpent-1-en-2-ylsilane
CID 173047562
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine?
The IUPAC name of 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine (CID 146660642) is 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine.
What is the SMILES notation for 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine?
The canonical SMILES for 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine is C=C(C)C(CC)CN(C)S(C)(C)C.
What is the InChIKey of 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine?
The InChIKey is RDIQRQDNTOVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-8-11(10(2)3)9-12(4)13(5,6)7/h11H,2,8-9H2,1,3-7H3.
What are the key properties of 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine?
2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine is sourced from PubChem (CID 146660642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).