2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine

C10H21NS — CID 103068173

IUPAC2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CSC(C)(C)C
InChIInChI=1S/C10H21NS/c1-6-11-7-9(2)8-12-10(3,4)5/h11H,2,6-8H2,1,3-5H3
InChIKeyPPYQSNBHKBGJMG-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds5

About 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine

2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine (PubChem CID 103068173) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
PubChem CID103068173
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CSC(C)(C)C
InChIInChI=1S/C10H21NS/c1-6-11-7-9(2)8-12-10(3,4)5/h11H,2,6-8H2,1,3-5H3
InChIKeyPPYQSNBHKBGJMG-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidene-1,5-thiazocane
CID 22946746
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
1-butylidene-N,3-dimethyl-2H-thiet-2-amine
CID 123663082
2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
CID 123854918
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine (CID 103068173) is 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine is C=C(CNCC)CSC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is PPYQSNBHKBGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-6-11-7-9(2)8-12-10(3,4)5/h11H,2,6-8H2,1,3-5H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine?
2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103068173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).