N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine

C14H24N2S — CID 80639266

IUPACN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCCC(C)Sc1ncc(CNC(C)C)cc1C
InChIInChI=1S/C14H24N2S/c1-6-12(5)17-14-11(4)7-13(9-16-14)8-15-10(2)3/h7,9-10,12,15H,6,8H2,1-5H3
InChIKeyDQOUCHOTRRGRNX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.78
Rot. Bonds6

About N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine

N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 80639266) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
PubChem CID80639266
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCCC(C)Sc1ncc(CNC(C)C)cc1C
InChIInChI=1S/C14H24N2S/c1-6-12(5)17-14-11(4)7-13(9-16-14)8-15-10(2)3/h7,9-10,12,15H,6,8H2,1-5H3
InChIKeyDQOUCHOTRRGRNX-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propane-1,2-diol
CID 80651518
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651345
N-[[6-(3,4-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640372
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640521
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80640389
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
CID 80651280
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251

Frequently Asked Questions

What is the IUPAC name of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine (CID 80639266) is N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine is CCC(C)Sc1ncc(CNC(C)C)cc1C.
What is the InChIKey of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is DQOUCHOTRRGRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-6-12(5)17-14-11(4)7-13(9-16-14)8-15-10(2)3/h7,9-10,12,15H,6,8H2,1-5H3.
What are the key properties of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine?
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.78, 6 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-5-methyl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 80639266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).