(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine

C9H18N2S — CID 143941334

IUPAC(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine
SMILESC/C=N\N/C(SCC)=C(\C)CC
InChIInChI=1S/C9H18N2S/c1-5-8(4)9(12-7-3)11-10-6-2/h6,11H,5,7H2,1-4H3/b9-8-,10-6-
InChIKeyNDKGXGCTNRDWHF-BLQKWXTKSA-N
MW186.32 g/mol
LogP2.98
Rot. Bonds5

About (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine

(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine (PubChem CID 143941334) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine
PubChem CID143941334
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine
SMILESC/C=N\N/C(SCC)=C(\C)CC
InChIInChI=1S/C9H18N2S/c1-5-8(4)9(12-7-3)11-10-6-2/h6,11H,5,7H2,1-4H3/b9-8-,10-6-
InChIKeyNDKGXGCTNRDWHF-BLQKWXTKSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine (CID 143941334) is (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine is C/C=N\N/C(SCC)=C(\C)CC.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine?
The InChIKey is NDKGXGCTNRDWHF-BLQKWXTKSA-N. The full InChI is InChI=1S/C9H18N2S/c1-5-8(4)9(12-7-3)11-10-6-2/h6,11H,5,7H2,1-4H3/b9-8-,10-6-.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine?
(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine is sourced from PubChem (CID 143941334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).