ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine

C14H25N — CID 155731579

IUPACethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=CCCC=C1C(=C)C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3
InChIKeyOMSQXRZYUXTVRS-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.92
Rot. Bonds2

About ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine

ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 155731579) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID155731579
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=CCCC=C1C(=C)C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3
InChIKeyOMSQXRZYUXTVRS-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.92
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

1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
CID 163445325
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
5-prop-1-en-2-yl-2,3-dihydro-1H-pyrrole
CID 141083269
N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
CID 144596584
(1Z,5Z,7R,8R)-6-methyl-8-prop-1-en-2-ylbicyclo[5.3.1]undeca-1,5-diene
CID 102256733
ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 157040724
1-(6-ethenylcyclohexa-1,5-dien-1-yl)ethenol
CID 89328254
3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 142918520
N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine;ethane
CID 145158396
N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 142493166
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine (CID 155731579) is ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine is C=NC1=CCCC=C1C(=C)C.CC.CC.
What is the InChIKey of ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is OMSQXRZYUXTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3.
What are the key properties of ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine?
ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 155731579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).