2-(aminomethyl)hexane-1-thiol;hydrochloride

C7H18ClNS — CID 155665109

IUPAC2-(aminomethyl)hexane-1-thiol;hydrochloride
SMILESCCCCC(CN)CS.Cl
InChIInChI=1S/C7H17NS.ClH/c1-2-3-4-7(5-8)6-9;/h7,9H,2-6,8H2,1H3;1H
InChIKeyOSUAYHYLSJDAEL-UHFFFAOYSA-N
MW183.75 g/mol
LogP2.10
Rot. Bonds5

About 2-(aminomethyl)hexane-1-thiol;hydrochloride

2-(aminomethyl)hexane-1-thiol;hydrochloride (PubChem CID 155665109) has the molecular formula C7H18ClNS and a molecular weight of 183.75 g/mol. Its IUPAC name is 2-(aminomethyl)hexane-1-thiol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)hexane-1-thiol;hydrochloride
PubChem CID155665109
Molecular FormulaC7H18ClNS
Molecular Weight183.75 g/mol
Exact Mass183.08
IUPAC Name2-(aminomethyl)hexane-1-thiol;hydrochloride
SMILESCCCCC(CN)CS.Cl
InChIInChI=1S/C7H17NS.ClH/c1-2-3-4-7(5-8)6-9;/h7,9H,2-6,8H2,1H3;1H
InChIKeyOSUAYHYLSJDAEL-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butylhexan-1-amine
CID 54041151
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-butylpropane-1,3-diamine;ethane
CID 142824010
(2S)-2-ethylhexan-1-amine
CID 6999997
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexane-1-thiol;molybdenum
CID 88652691
2-(aminomethyl)butane-1-thiol;hydrochloride
CID 155665114
2-dodecylhexadecan-1-amine
CID 23048605
(2S)-2-hexyldecan-1-amine
CID 129368307
2-pentyloctane-1-thiol
CID 170312154
2-hexyloctadecan-1-amine
CID 87546751
2-propylheptan-1-amine
CID 21267775

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)hexane-1-thiol;hydrochloride?
The IUPAC name of 2-(aminomethyl)hexane-1-thiol;hydrochloride (CID 155665109) is 2-(aminomethyl)hexane-1-thiol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)hexane-1-thiol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)hexane-1-thiol;hydrochloride is CCCCC(CN)CS.Cl.
What is the InChIKey of 2-(aminomethyl)hexane-1-thiol;hydrochloride?
The InChIKey is OSUAYHYLSJDAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS.ClH/c1-2-3-4-7(5-8)6-9;/h7,9H,2-6,8H2,1H3;1H.
What are the key properties of 2-(aminomethyl)hexane-1-thiol;hydrochloride?
2-(aminomethyl)hexane-1-thiol;hydrochloride has a molecular weight of 183.75 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)hexane-1-thiol;hydrochloride is sourced from PubChem (CID 155665109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).