2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine

C9H18N2 — CID 91075899

IUPAC2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine
SMILESC/C=N/C(C)=C(CC)CNC
InChIInChI=1S/C9H18N2/c1-5-9(7-10-4)8(3)11-6-2/h6,10H,5,7H2,1-4H3/b9-8?,11-6+
InChIKeyDRKCHGOAJQCUEV-RDJFYALVSA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds4

About 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine

2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine (PubChem CID 91075899) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine
PubChem CID91075899
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine
SMILESC/C=N/C(C)=C(CC)CNC
InChIInChI=1S/C9H18N2/c1-5-9(7-10-4)8(3)11-6-2/h6,10H,5,7H2,1-4H3/b9-8?,11-6+
InChIKeyDRKCHGOAJQCUEV-RDJFYALVSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine?
The IUPAC name of 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine (CID 91075899) is 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine.
What is the SMILES notation for 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine?
The canonical SMILES for 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine is C/C=N/C(C)=C(CC)CNC.
What is the InChIKey of 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine?
The InChIKey is DRKCHGOAJQCUEV-RDJFYALVSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(7-10-4)8(3)11-6-2/h6,10H,5,7H2,1-4H3/b9-8?,11-6+.
What are the key properties of 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine?
2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 91075899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).