N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine

C14H24N2S — CID 80639371

IUPACN-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C14H24N2S/c1-6-11(2)17-13-8-7-12(9-15-13)10-16-14(3,4)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyNNCZSYQGBHILAU-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.86
Rot. Bonds5

About N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 80639371) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID80639371
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C14H24N2S/c1-6-11(2)17-13-8-7-12(9-15-13)10-16-14(3,4)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyNNCZSYQGBHILAU-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
N-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 113388634
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80639399
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
5-bromo-2-butan-2-ylsulfanylpyridine
CID 61373794
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
N-[[6-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114792367
2-methyl-N-[[6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650759
N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80650938
2-methyl-N-[[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-2-amine
CID 104604343
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106926747

Frequently Asked Questions

What is the IUPAC name of N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 80639371) is N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine is CCC(C)Sc1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is NNCZSYQGBHILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-6-11(2)17-13-8-7-12(9-15-13)10-16-14(3,4)5/h7-9,11,16H,6,10H2,1-5H3.
What are the key properties of N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80639371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).