ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine

C15H25N — CID 144552273

IUPACethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine
SMILESCC.[H]/N=C/C/C=C\C1=CCCC=C1C(C)C
InChIInChI=1S/C13H19N.C2H6/c1-11(2)13-9-4-3-7-12(13)8-5-6-10-14;1-2/h5,7-11,14H,3-4,6H2,1-2H3;1-2H3/b8-5-,14-10+;
InChIKeyGRPXRASBPUBMKL-LFMFWTLNSA-N
MW219.37 g/mol
LogP4.91
Rot. Bonds4

About ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine

ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine (PubChem CID 144552273) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine
PubChem CID144552273
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine
SMILESCC.[H]/N=C/C/C=C\C1=CCCC=C1C(C)C
InChIInChI=1S/C13H19N.C2H6/c1-11(2)13-9-4-3-7-12(13)8-5-6-10-14;1-2/h5,7-11,14H,3-4,6H2,1-2H3;1-2H3/b8-5-,14-10+;
InChIKeyGRPXRASBPUBMKL-LFMFWTLNSA-N
XLogP4.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine with MolForge

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Related Compounds

[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 139372794
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
CID 143603539
(6Z)-2-ethyl-5-(trifluoromethyl)octa-4,6-dien-1-imine
CID 145644627
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
7-Bicyclo[4.2.0]octa-3,5-dienylmethanimine
CID 57147783
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 58352423
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
[2-ethyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 88562249
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
(Z)-4-ethenylhept-4-en-1-imine
CID 88992986

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine?
The IUPAC name of ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine (CID 144552273) is ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine.
What is the SMILES notation for ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine?
The canonical SMILES for ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine is CC.[H]/N=C/C/C=C\C1=CCCC=C1C(C)C.
What is the InChIKey of ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine?
The InChIKey is GRPXRASBPUBMKL-LFMFWTLNSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-11(2)13-9-4-3-7-12(13)8-5-6-10-14;1-2/h5,7-11,14H,3-4,6H2,1-2H3;1-2H3/b8-5-,14-10+;.
What are the key properties of ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine?
ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine is sourced from PubChem (CID 144552273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).