N-(ethylideneamino)-3-methylpent-2-en-1-imine

C8H14N2 — CID 123264829

IUPACN-(ethylideneamino)-3-methylpent-2-en-1-imine
SMILESCC=NN=CC=C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(3)6-7-10-9-5-2/h5-7H,4H2,1-3H3
InChIKeyXEVQUMRTFIIICY-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds3

About N-(ethylideneamino)-3-methylpent-2-en-1-imine

N-(ethylideneamino)-3-methylpent-2-en-1-imine (PubChem CID 123264829) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(ethylideneamino)-3-methylpent-2-en-1-imine.

Molecular Properties

Compound NameN-(ethylideneamino)-3-methylpent-2-en-1-imine
PubChem CID123264829
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(ethylideneamino)-3-methylpent-2-en-1-imine
SMILESCC=NN=CC=C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(3)6-7-10-9-5-2/h5-7H,4H2,1-3H3
InChIKeyXEVQUMRTFIIICY-UHFFFAOYSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(ethylideneamino)-3-methylpent-2-en-1-imine?
The IUPAC name of N-(ethylideneamino)-3-methylpent-2-en-1-imine (CID 123264829) is N-(ethylideneamino)-3-methylpent-2-en-1-imine.
What is the SMILES notation for N-(ethylideneamino)-3-methylpent-2-en-1-imine?
The canonical SMILES for N-(ethylideneamino)-3-methylpent-2-en-1-imine is CC=NN=CC=C(C)CC.
What is the InChIKey of N-(ethylideneamino)-3-methylpent-2-en-1-imine?
The InChIKey is XEVQUMRTFIIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(3)6-7-10-9-5-2/h5-7H,4H2,1-3H3.
What are the key properties of N-(ethylideneamino)-3-methylpent-2-en-1-imine?
N-(ethylideneamino)-3-methylpent-2-en-1-imine has a molecular weight of 138.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-3-methylpent-2-en-1-imine is sourced from PubChem (CID 123264829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).