(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine

C11H23NS — CID 146226420

IUPAC(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
SMILESCCS/C=C\C(C)CC(CC)NC
InChIInChI=1S/C11H23NS/c1-5-11(12-4)9-10(3)7-8-13-6-2/h7-8,10-12H,5-6,9H2,1-4H3/b8-7-
InChIKeyMXFKZCOCAWBGRJ-FPLPWBNLSA-N
MW201.38 g/mol
LogP3.28
Rot. Bonds7

About (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine

(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine (PubChem CID 146226420) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine.

Molecular Properties

Compound Name(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
PubChem CID146226420
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
SMILESCCS/C=C\C(C)CC(CC)NC
InChIInChI=1S/C11H23NS/c1-5-11(12-4)9-10(3)7-8-13-6-2/h7-8,10-12H,5-6,9H2,1-4H3/b8-7-
InChIKeyMXFKZCOCAWBGRJ-FPLPWBNLSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine?
The IUPAC name of (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine (CID 146226420) is (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine.
What is the SMILES notation for (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine?
The canonical SMILES for (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine is CCS/C=C\C(C)CC(CC)NC.
What is the InChIKey of (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine?
The InChIKey is MXFKZCOCAWBGRJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-11(12-4)9-10(3)7-8-13-6-2/h7-8,10-12H,5-6,9H2,1-4H3/b8-7-.
What are the key properties of (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine?
(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine is sourced from PubChem (CID 146226420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).