N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine

C13H22N2S — CID 137425887

IUPACN-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)NCCSC(C)C
InChIInChI=1S/C13H22N2S/c1-11(2)16-9-8-14-12(3)10-13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeySGRADHOOXVYHTH-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.74
Rot. Bonds7

About N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine

N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine (PubChem CID 137425887) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine
PubChem CID137425887
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)NCCSC(C)C
InChIInChI=1S/C13H22N2S/c1-11(2)16-9-8-14-12(3)10-13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeySGRADHOOXVYHTH-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
2-[2-(1-pyridin-2-ylpropan-2-ylamino)ethoxy]ethanol
CID 137425890
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374
N-[[6-(2-aminoethyl)-2-pyridinyl]methyl]-1-pyridin-2-ylpropan-2-amine
CID 130305399
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine (CID 137425887) is N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine is CC(Cc1ccccn1)NCCSC(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is SGRADHOOXVYHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)16-9-8-14-12(3)10-13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3.
What are the key properties of N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine?
N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 137425887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).