N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine

C13H22N2OS — CID 113479021

IUPACN-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCC(C)(C)SC
InChIInChI=1S/C13H22N2OS/c1-5-9-16-11-7-6-8-14-12(11)15-10-13(2,3)17-4/h6-8H,5,9-10H2,1-4H3,(H,14,15)
InChIKeyNGFCNJNHCHECHO-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.42
Rot. Bonds7

About N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine

N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine (PubChem CID 113479021) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
PubChem CID113479021
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCC(C)(C)SC
InChIInChI=1S/C13H22N2OS/c1-5-9-16-11-7-6-8-14-12(11)15-10-13(2,3)17-4/h6-8H,5,9-10H2,1-4H3,(H,14,15)
InChIKeyNGFCNJNHCHECHO-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-propoxypyridin-2-amine
CID 105419140
N-[(2-aminocyclopentyl)methyl]-3-propoxypyridin-2-amine
CID 113371376

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine (CID 113479021) is N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine is CCCOc1cccnc1NCC(C)(C)SC.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine?
The InChIKey is NGFCNJNHCHECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-9-16-11-7-6-8-14-12(11)15-10-13(2,3)17-4/h6-8H,5,9-10H2,1-4H3,(H,14,15).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine?
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine has a molecular weight of 254.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine is sourced from PubChem (CID 113479021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).