N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine

C15H26N2S — CID 80639461

IUPACN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Sc1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C15H26N2S/c1-6-13(5)18-15-12(4)7-14(10-17-15)9-16-8-11(2)3/h7,10-11,13,16H,6,8-9H2,1-5H3
InChIKeyCZDMTXMYQDZQKE-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.03
Rot. Bonds7

About N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 80639461) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID80639461
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Sc1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C15H26N2S/c1-6-13(5)18-15-12(4)7-14(10-17-15)9-16-8-11(2)3/h7,10-11,13,16H,6,8-9H2,1-5H3
InChIKeyCZDMTXMYQDZQKE-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 80639266
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80640458
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80650679
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 104604381
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methylpropan-1-amine
CID 63807103
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917

Frequently Asked Questions

What is the IUPAC name of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine (CID 80639461) is N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine is CCC(C)Sc1ncc(CNCC(C)C)cc1C.
What is the InChIKey of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is CZDMTXMYQDZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-6-13(5)18-15-12(4)7-14(10-17-15)9-16-8-11(2)3/h7,10-11,13,16H,6,8-9H2,1-5H3.
What are the key properties of N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.03, 7 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]-2-methylpropan-1-amine is sourced from PubChem (CID 80639461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).