7-ethyl-9-methylsulfanylnonan-1-amine

C12H27NS — CID 153391271

IUPAC7-ethyl-9-methylsulfanylnonan-1-amine
SMILESCCC(CCCCCCN)CCSC
InChIInChI=1S/C12H27NS/c1-3-12(9-11-14-2)8-6-4-5-7-10-13/h12H,3-11,13H2,1-2H3
InChIKeyZJUBZNRHSKZBPF-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.67
Rot. Bonds10

About 7-ethyl-9-methylsulfanylnonan-1-amine

7-ethyl-9-methylsulfanylnonan-1-amine (PubChem CID 153391271) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 7-ethyl-9-methylsulfanylnonan-1-amine.

Molecular Properties

Compound Name7-ethyl-9-methylsulfanylnonan-1-amine
PubChem CID153391271
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name7-ethyl-9-methylsulfanylnonan-1-amine
SMILESCCC(CCCCCCN)CCSC
InChIInChI=1S/C12H27NS/c1-3-12(9-11-14-2)8-6-4-5-7-10-13/h12H,3-11,13H2,1-2H3
InChIKeyZJUBZNRHSKZBPF-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.67
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

12-ethyltetradecan-1-amine
CID 87456130
2-ethylundecane-1,11-diamine
CID 118354607
(3R)-3-ethylnonan-1-amine
CID 163925868
5-hexyldodecan-1-amine
CID 129015386
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
1-methylsulfanyltridecan-3-amine
CID 105138240

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-methylsulfanylnonan-1-amine?
The IUPAC name of 7-ethyl-9-methylsulfanylnonan-1-amine (CID 153391271) is 7-ethyl-9-methylsulfanylnonan-1-amine.
What is the SMILES notation for 7-ethyl-9-methylsulfanylnonan-1-amine?
The canonical SMILES for 7-ethyl-9-methylsulfanylnonan-1-amine is CCC(CCCCCCN)CCSC.
What is the InChIKey of 7-ethyl-9-methylsulfanylnonan-1-amine?
The InChIKey is ZJUBZNRHSKZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-3-12(9-11-14-2)8-6-4-5-7-10-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 7-ethyl-9-methylsulfanylnonan-1-amine?
7-ethyl-9-methylsulfanylnonan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-methylsulfanylnonan-1-amine is sourced from PubChem (CID 153391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).