ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine

C14H23N — CID 143906186

IUPACethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
SMILESC=c1cccc/c1=C/N=C/C.CC.CC
InChIInChI=1S/C10H11N.2C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;2*1-2/h3-8H,2H2,1H3;2*1-2H3/b10-8-,11-3+;;
InChIKeyAIAQQNFXGZNGEB-UVCWJXOASA-N
MW205.34 g/mol
LogP2.98
Rot. Bonds1

About ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine

ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine (PubChem CID 143906186) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
PubChem CID143906186
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
SMILESC=c1cccc/c1=C/N=C/C.CC.CC
InChIInChI=1S/C10H11N.2C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;2*1-2/h3-8H,2H2,1H3;2*1-2H3/b10-8-,11-3+;;
InChIKeyAIAQQNFXGZNGEB-UVCWJXOASA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.98
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

lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 102416315
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
CID 159580103
(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene
CID 145348048
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propan-2-ol
CID 134983494
N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine
CID 165136855
(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
CID 142154594
(6Z)-5-methylidene-6-[(Z)-3-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143026657
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
CID 89200532
naphthalene;prop-1-ene
CID 22255850

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The IUPAC name of ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine (CID 143906186) is ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine is C=c1cccc/c1=C/N=C/C.CC.CC.
What is the InChIKey of ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
The InChIKey is AIAQQNFXGZNGEB-UVCWJXOASA-N. The full InChI is InChI=1S/C10H11N.2C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;2*1-2/h3-8H,2H2,1H3;2*1-2H3/b10-8-,11-3+;;.
What are the key properties of ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine?
ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine has a molecular weight of 205.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine is sourced from PubChem (CID 143906186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).