N-[2-(methylideneamino)prop-1-enyl]ethanimine

C6H10N2 — CID 123336776

IUPACN-[2-(methylideneamino)prop-1-enyl]ethanimine
SMILESC=NC(C)=C/N=C/C
InChIInChI=1S/C6H10N2/c1-4-8-5-6(2)7-3/h4-5H,3H2,1-2H3/b6-5?,8-4+
InChIKeyNKJHGZSMFLMLLM-KEFBPMMISA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About N-[2-(methylideneamino)prop-1-enyl]ethanimine

N-[2-(methylideneamino)prop-1-enyl]ethanimine (PubChem CID 123336776) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-[2-(methylideneamino)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[2-(methylideneamino)prop-1-enyl]ethanimine
PubChem CID123336776
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-[2-(methylideneamino)prop-1-enyl]ethanimine
SMILESC=NC(C)=C/N=C/C
InChIInChI=1S/C6H10N2/c1-4-8-5-6(2)7-3/h4-5H,3H2,1-2H3/b6-5?,8-4+
InChIKeyNKJHGZSMFLMLLM-KEFBPMMISA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
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 N-[2-(methylideneamino)prop-1-enyl]ethanimine?
The IUPAC name of N-[2-(methylideneamino)prop-1-enyl]ethanimine (CID 123336776) is N-[2-(methylideneamino)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[2-(methylideneamino)prop-1-enyl]ethanimine?
The canonical SMILES for N-[2-(methylideneamino)prop-1-enyl]ethanimine is C=NC(C)=C/N=C/C.
What is the InChIKey of N-[2-(methylideneamino)prop-1-enyl]ethanimine?
The InChIKey is NKJHGZSMFLMLLM-KEFBPMMISA-N. The full InChI is InChI=1S/C6H10N2/c1-4-8-5-6(2)7-3/h4-5H,3H2,1-2H3/b6-5?,8-4+.
What are the key properties of N-[2-(methylideneamino)prop-1-enyl]ethanimine?
N-[2-(methylideneamino)prop-1-enyl]ethanimine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)prop-1-enyl]ethanimine is sourced from PubChem (CID 123336776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).