7-ethylsulfanylheptan-1-amine

C9H21NS — CID 153391280

IUPAC7-ethylsulfanylheptan-1-amine
SMILESCCSCCCCCCCN
InChIInChI=1S/C9H21NS/c1-2-11-9-7-5-3-4-6-8-10/h2-10H2,1H3
InChIKeyCTYSBLCVTHVEBJ-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.65
Rot. Bonds8

About 7-ethylsulfanylheptan-1-amine

7-ethylsulfanylheptan-1-amine (PubChem CID 153391280) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 7-ethylsulfanylheptan-1-amine.

Molecular Properties

Compound Name7-ethylsulfanylheptan-1-amine
PubChem CID153391280
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name7-ethylsulfanylheptan-1-amine
SMILESCCSCCCCCCCN
InChIInChI=1S/C9H21NS/c1-2-11-9-7-5-3-4-6-8-10/h2-10H2,1H3
InChIKeyCTYSBLCVTHVEBJ-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-decylsulfanylundecan-1-amine
CID 71359638
4-pentylsulfanylbutan-1-amine
CID 82180242
1-ethylsulfanyltetradecane
CID 20788610
1-ethylsulfanyldodecane
CID 534448
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
6-ethylsulfanylhexane-1-thiol
CID 23423869
CID 173287588
CID 173287588
CID 173288162
CID 173288162
2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine
CID 20538545
1-ethylsulfanyl-3-fluoropropane
CID 59155014
2-undecylsulfanylethanamine
CID 57215239
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanylheptan-1-amine?
The IUPAC name of 7-ethylsulfanylheptan-1-amine (CID 153391280) is 7-ethylsulfanylheptan-1-amine.
What is the SMILES notation for 7-ethylsulfanylheptan-1-amine?
The canonical SMILES for 7-ethylsulfanylheptan-1-amine is CCSCCCCCCCN.
What is the InChIKey of 7-ethylsulfanylheptan-1-amine?
The InChIKey is CTYSBLCVTHVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-2-11-9-7-5-3-4-6-8-10/h2-10H2,1H3.
What are the key properties of 7-ethylsulfanylheptan-1-amine?
7-ethylsulfanylheptan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanylheptan-1-amine is sourced from PubChem (CID 153391280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).