ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine

C14H21N — CID 144928932

IUPACethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine
SMILESC=CC1=CC=CC(C)(C)C=C1N=C.CC
InChIInChI=1S/C12H15N.C2H6/c1-5-10-7-6-8-12(2,3)9-11(10)13-4;1-2/h5-9H,1,4H2,2-3H3;1-2H3
InChIKeyJATCHSRMPXQITR-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.31
Rot. Bonds2

About ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine

ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine (PubChem CID 144928932) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine
PubChem CID144928932
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine
SMILESC=CC1=CC=CC(C)(C)C=C1N=C.CC
InChIInChI=1S/C12H15N.C2H6/c1-5-10-7-6-8-12(2,3)9-11(10)13-4;1-2/h5-9H,1,4H2,2-3H3;1-2H3
InChIKeyJATCHSRMPXQITR-UHFFFAOYSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.31
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-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
CID 175614207
8,8-Dimethylcyclohepta[b]pyridine
CID 88973533
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
CID 90857049
Methyl-propan-2-ylidene-(3,3,7-trimethylcyclohepta-1,4,6-trien-1-yl)azanium
CID 91118509

Frequently Asked Questions

What is the IUPAC name of ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine?
The IUPAC name of ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine (CID 144928932) is ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine.
What is the SMILES notation for ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine?
The canonical SMILES for ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine is C=CC1=CC=CC(C)(C)C=C1N=C.CC.
What is the InChIKey of ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine?
The InChIKey is JATCHSRMPXQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-5-10-7-6-8-12(2,3)9-11(10)13-4;1-2/h5-9H,1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine?
ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine has a molecular weight of 203.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(7-ethenyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methanimine is sourced from PubChem (CID 144928932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).