ethane;N-pent-1-en-2-ylmethanimine

C8H17N — CID 164877658

IUPACethane;N-pent-1-en-2-ylmethanimine
SMILESC=NC(=C)CCC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-5-6(2)7-3;1-2/h2-5H2,1H3;1-2H3
InChIKeyYNRZJFFMRJMRSU-UHFFFAOYSA-N
MW127.23 g/mol
LogP3.03
Rot. Bonds3

About ethane;N-pent-1-en-2-ylmethanimine

ethane;N-pent-1-en-2-ylmethanimine (PubChem CID 164877658) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;N-pent-1-en-2-ylmethanimine.

Molecular Properties

Compound Nameethane;N-pent-1-en-2-ylmethanimine
PubChem CID164877658
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;N-pent-1-en-2-ylmethanimine
SMILESC=NC(=C)CCC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-5-6(2)7-3;1-2/h2-5H2,1H3;1-2H3
InChIKeyYNRZJFFMRJMRSU-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine
CID 135244602
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
4,5-dimethylideneoctane
CID 13294231
CID 19979451
CID 19979451
4,7-dimethylidenedecane
CID 543440
methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride
CID 173095651
N,N-dimethylpent-1-en-2-amine;ethane
CID 156729648
butane;ethane;2-methylprop-1-ene
CID 142168819
methane;hexakis(2-methylpent-1-ene)
CID 175346690
N,N-diethylpent-1-en-2-amine;ethane
CID 144782283
sodium;hydride;2-methylpent-1-ene
CID 174251970
heptan-4-imine;2-methylprop-1-ene
CID 175527412

Frequently Asked Questions

What is the IUPAC name of ethane;N-pent-1-en-2-ylmethanimine?
The IUPAC name of ethane;N-pent-1-en-2-ylmethanimine (CID 164877658) is ethane;N-pent-1-en-2-ylmethanimine.
What is the SMILES notation for ethane;N-pent-1-en-2-ylmethanimine?
The canonical SMILES for ethane;N-pent-1-en-2-ylmethanimine is C=NC(=C)CCC.CC.
What is the InChIKey of ethane;N-pent-1-en-2-ylmethanimine?
The InChIKey is YNRZJFFMRJMRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-4-5-6(2)7-3;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-pent-1-en-2-ylmethanimine?
ethane;N-pent-1-en-2-ylmethanimine has a molecular weight of 127.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pent-1-en-2-ylmethanimine is sourced from PubChem (CID 164877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).