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

C14H31NS — CID 105344024

IUPAC9-[butyl(methyl)amino]nonane-1-thiol
SMILESCCCCN(C)CCCCCCCCCS
InChIInChI=1S/C14H31NS/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h16H,3-14H2,1-2H3
InChIKeyDTFNLUBAWGXBBQ-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.38
Rot. Bonds12

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

9-[butyl(methyl)amino]nonane-1-thiol (PubChem CID 105344024) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 9-[butyl(methyl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[butyl(methyl)amino]nonane-1-thiol
PubChem CID105344024
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name9-[butyl(methyl)amino]nonane-1-thiol
SMILESCCCCN(C)CCCCCCCCCS
InChIInChI=1S/C14H31NS/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h16H,3-14H2,1-2H3
InChIKeyDTFNLUBAWGXBBQ-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.38
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

3-[hexyl(methyl)amino]propane-1-thiol
CID 23362422
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-nonylundecan-1-amine
CID 603442
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of 9-[butyl(methyl)amino]nonane-1-thiol?
The IUPAC name of 9-[butyl(methyl)amino]nonane-1-thiol (CID 105344024) is 9-[butyl(methyl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[butyl(methyl)amino]nonane-1-thiol?
The canonical SMILES for 9-[butyl(methyl)amino]nonane-1-thiol is CCCCN(C)CCCCCCCCCS.
What is the InChIKey of 9-[butyl(methyl)amino]nonane-1-thiol?
The InChIKey is DTFNLUBAWGXBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h16H,3-14H2,1-2H3.
What are the key properties of 9-[butyl(methyl)amino]nonane-1-thiol?
9-[butyl(methyl)amino]nonane-1-thiol has a molecular weight of 245.48 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[butyl(methyl)amino]nonane-1-thiol is sourced from PubChem (CID 105344024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).