N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

C11H23NS — CID 91746851

IUPACN-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCN(C(C)C)C(C)C
InChIInChI=1S/C11H23NS/c1-6-8-13-9-7-12(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyJJOQSRYMPPTSER-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.02
Rot. Bonds7

About N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (PubChem CID 91746851) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
PubChem CID91746851
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCN(C(C)C)C(C)C
InChIInChI=1S/C11H23NS/c1-6-8-13-9-7-12(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyJJOQSRYMPPTSER-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
2,3,4-trimethyl-3,5-dihydro-2H-1,4-thiazepine
CID 68315569
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
(6Z)-2,3,4-trimethyl-2,3,5,8-tetrahydro-1,4-thiazocine
CID 68315604
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
2,3,4-Trimethyl-2,3,5,8-tetrahydro-1,4-thiazocine
CID 77476557
4-methylsulfanyl-N,N-bis(prop-2-enyl)butan-2-amine
CID 126500500
3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 126549556
(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
CID 138478352
(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine
CID 138481112
4-Methylthiomorpholine;prop-1-ene
CID 143140970
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 144748130

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (CID 91746851) is N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is C=CCSCCN(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The InChIKey is JJOQSRYMPPTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-8-13-9-7-12(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 91746851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).