(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine

C8H14N2 — CID 143658522

IUPAC(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNCC
InChIInChI=1S/C8H14N2/c1-4-8(6-9-3)7-10-5-2/h4,6,10H,1,3,5,7H2,2H3/b8-6+
InChIKeyIHMHRVMHMUNPHJ-SOFGYWHQSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds5

About (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine

(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (PubChem CID 143658522) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
PubChem CID143658522
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNCC
InChIInChI=1S/C8H14N2/c1-4-8(6-9-3)7-10-5-2/h4,6,10H,1,3,5,7H2,2H3/b8-6+
InChIKeyIHMHRVMHMUNPHJ-SOFGYWHQSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The IUPAC name of (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (CID 143658522) is (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.
What is the SMILES notation for (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The canonical SMILES for (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is C=C/C(=C\N=C)CNCC.
What is the InChIKey of (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The InChIKey is IHMHRVMHMUNPHJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(6-9-3)7-10-5-2/h4,6,10H,1,3,5,7H2,2H3/b8-6+.
What are the key properties of (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is sourced from PubChem (CID 143658522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).