ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine

C15H27N — CID 178128343

IUPACethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine
SMILESC=CC1=C(/N=C/C)C(C(C)C)CCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5-6,10,12H,1,7-9H2,2-4H3;1-2H3/b14-6+;
InChIKeyWHPPGHNZODSNBW-JSSTZBRYSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds3

About ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine

ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine (PubChem CID 178128343) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine
PubChem CID178128343
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine
SMILESC=CC1=C(/N=C/C)C(C(C)C)CCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5-6,10,12H,1,7-9H2,2-4H3;1-2H3/b14-6+;
InChIKeyWHPPGHNZODSNBW-JSSTZBRYSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
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-[(E,4R)-2-fluoro-4-[(1S)-2-(2-fluoropropyl)cyclohepta-2,4-dien-1-yl]pent-2-en-3-yl]ethanimine
CID 168197131
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
5,8-Dimethyl-4a,5,6,7-tetrahydroquinoline
CID 89495214
3-methyl-2-(3-methylheptyl)-4H-azepine
CID 90756270
Ethane;8-methyl-3,4,4a,5-tetrahydroquinoline
CID 91349973
N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine
CID 91438172
(6S)-6-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-2-methylidene-4,5,6,7,8,9-hexahydro-3H-azecine
CID 121313684
4-[(4Z)-5-(2,6-dimethyl-3-propan-2-ylcyclohexen-1-yl)penta-1,2,4-trien-3-yl]-7-methyl-10-propan-2-yl-5,6,7,8,9,10-hexahydro-1-benzazocine
CID 123304110

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine?
The IUPAC name of ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine (CID 178128343) is ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine.
What is the SMILES notation for ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine?
The canonical SMILES for ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine is C=CC1=C(/N=C/C)C(C(C)C)CCC1.CC.
What is the InChIKey of ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine?
The InChIKey is WHPPGHNZODSNBW-JSSTZBRYSA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5-6,10,12H,1,7-9H2,2-4H3;1-2H3/b14-6+;.
What are the key properties of ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine?
ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine is sourced from PubChem (CID 178128343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).