ethane;N-(2-ethenylcyclohepten-1-yl)methanimine

C12H21N — CID 143180659

IUPACethane;N-(2-ethenylcyclohepten-1-yl)methanimine
SMILESC=CC1=C(N=C)CCCCC1.CC
InChIInChI=1S/C10H15N.C2H6/c1-3-9-7-5-4-6-8-10(9)11-2;1-2/h3H,1-2,4-8H2;1-2H3
InChIKeyAMWVOPDZKFJDRI-UHFFFAOYSA-N
MW179.31 g/mol
LogP4.12
Rot. Bonds2

About ethane;N-(2-ethenylcyclohepten-1-yl)methanimine

ethane;N-(2-ethenylcyclohepten-1-yl)methanimine (PubChem CID 143180659) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethane;N-(2-ethenylcyclohepten-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-ethenylcyclohepten-1-yl)methanimine
PubChem CID143180659
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethane;N-(2-ethenylcyclohepten-1-yl)methanimine
SMILESC=CC1=C(N=C)CCCCC1.CC
InChIInChI=1S/C10H15N.C2H6/c1-3-9-7-5-4-6-8-10(9)11-2;1-2/h3H,1-2,4-8H2;1-2H3
InChIKeyAMWVOPDZKFJDRI-UHFFFAOYSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-(2-ethenylcyclohepten-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(6-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-5-yl)methanimine
CID 143157788
N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine
CID 169264039
6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
CID 145445836
2-ethenyl-3-(methylideneamino)cyclohex-2-en-1-one
CID 144648325
1-ethenyl-2-methylcyclopentene
CID 123848216
1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
CID 142010020
cyclobutane;ethane;prop-1-ene
CID 142065281
N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine
CID 138719356
(1R)-2,3-bis(ethenyl)cyclohex-2-en-1-ol;ethane;fluoromethane
CID 143947837
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
cyclopropane;ethane;ethenamine;propane
CID 165407698
4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane
CID 144962467

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenylcyclohepten-1-yl)methanimine?
The IUPAC name of ethane;N-(2-ethenylcyclohepten-1-yl)methanimine (CID 143180659) is ethane;N-(2-ethenylcyclohepten-1-yl)methanimine.
What is the SMILES notation for ethane;N-(2-ethenylcyclohepten-1-yl)methanimine?
The canonical SMILES for ethane;N-(2-ethenylcyclohepten-1-yl)methanimine is C=CC1=C(N=C)CCCCC1.CC.
What is the InChIKey of ethane;N-(2-ethenylcyclohepten-1-yl)methanimine?
The InChIKey is AMWVOPDZKFJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-3-9-7-5-4-6-8-10(9)11-2;1-2/h3H,1-2,4-8H2;1-2H3.
What are the key properties of ethane;N-(2-ethenylcyclohepten-1-yl)methanimine?
ethane;N-(2-ethenylcyclohepten-1-yl)methanimine has a molecular weight of 179.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenylcyclohepten-1-yl)methanimine is sourced from PubChem (CID 143180659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).