9-[benzyl(methyl)amino]nonane-1-thiol

C17H29NS — CID 105344021

IUPAC9-[benzyl(methyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1ccccc1
InChIInChI=1S/C17H29NS/c1-18(16-17-12-8-7-9-13-17)14-10-5-3-2-4-6-11-15-19/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3
InChIKeyNHINTTOQSIVZEZ-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.78
Rot. Bonds11

About 9-[benzyl(methyl)amino]nonane-1-thiol

9-[benzyl(methyl)amino]nonane-1-thiol (PubChem CID 105344021) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 9-[benzyl(methyl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[benzyl(methyl)amino]nonane-1-thiol
PubChem CID105344021
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name9-[benzyl(methyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1ccccc1
InChIInChI=1S/C17H29NS/c1-18(16-17-12-8-7-9-13-17)14-10-5-3-2-4-6-11-15-19/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3
InChIKeyNHINTTOQSIVZEZ-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
2-[2-[4-[benzyl(methyl)amino]butyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 87797872
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
CID 143113319

Frequently Asked Questions

What is the IUPAC name of 9-[benzyl(methyl)amino]nonane-1-thiol?
The IUPAC name of 9-[benzyl(methyl)amino]nonane-1-thiol (CID 105344021) is 9-[benzyl(methyl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[benzyl(methyl)amino]nonane-1-thiol?
The canonical SMILES for 9-[benzyl(methyl)amino]nonane-1-thiol is CN(CCCCCCCCCS)Cc1ccccc1.
What is the InChIKey of 9-[benzyl(methyl)amino]nonane-1-thiol?
The InChIKey is NHINTTOQSIVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-18(16-17-12-8-7-9-13-17)14-10-5-3-2-4-6-11-15-19/h7-9,12-13,19H,2-6,10-11,14-16H2,1H3.
What are the key properties of 9-[benzyl(methyl)amino]nonane-1-thiol?
9-[benzyl(methyl)amino]nonane-1-thiol has a molecular weight of 279.49 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[benzyl(methyl)amino]nonane-1-thiol is sourced from PubChem (CID 105344021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).