9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol

C16H28N2S — CID 105344064

IUPAC9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1ccncc1
InChIInChI=1S/C16H28N2S/c1-18(15-16-9-11-17-12-10-16)13-7-5-3-2-4-6-8-14-19/h9-12,19H,2-8,13-15H2,1H3
InChIKeyWAWAEUHYMMPBPP-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.17
Rot. Bonds11

About 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol

9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol (PubChem CID 105344064) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
PubChem CID105344064
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1ccncc1
InChIInChI=1S/C16H28N2S/c1-18(15-16-9-11-17-12-10-16)13-7-5-3-2-4-6-8-14-19/h9-12,19H,2-8,13-15H2,1H3
InChIKeyWAWAEUHYMMPBPP-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503

Frequently Asked Questions

What is the IUPAC name of 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol?
The IUPAC name of 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol (CID 105344064) is 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol?
The canonical SMILES for 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol is CN(CCCCCCCCCS)Cc1ccncc1.
What is the InChIKey of 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol?
The InChIKey is WAWAEUHYMMPBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-18(15-16-9-11-17-12-10-16)13-7-5-3-2-4-6-8-14-19/h9-12,19H,2-8,13-15H2,1H3.
What are the key properties of 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol?
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol has a molecular weight of 280.48 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol is sourced from PubChem (CID 105344064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).