2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine

C13H21N — CID 91224376

IUPAC2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine
SMILES[H]/N=C/C/C1=C/C=C(CC)CCCC1C
InChIInChI=1S/C13H21N/c1-3-12-6-4-5-11(2)13(8-7-12)9-10-14/h7-8,10-11,14H,3-6,9H2,1-2H3/b12-7?,13-8-,14-10+
InChIKeyZABWNJBSEKYKSN-PJAPGUFOSA-N
MW191.32 g/mol
LogP4.11
Rot. Bonds3

About 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine

2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine (PubChem CID 91224376) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine.

Molecular Properties

Compound Name2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine
PubChem CID91224376
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine
SMILES[H]/N=C/C/C1=C/C=C(CC)CCCC1C
InChIInChI=1S/C13H21N/c1-3-12-6-4-5-11(2)13(8-7-12)9-10-14/h7-8,10-11,14H,3-6,9H2,1-2H3/b12-7?,13-8-,14-10+
InChIKeyZABWNJBSEKYKSN-PJAPGUFOSA-N
XLogP4.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781
(2,4-Dimethylcyclohex-3-en-1-yl)methanimine
CID 89899175
(2Z)-3-methyl-2-[(2-methylcyclohexen-1-yl)methylidene]butan-1-imine
CID 89989516
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
CID 90917683
2,6,6,9-Tetramethylundeca-7,9-dien-1-imine
CID 91253847
(3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-1-imine
CID 91439449
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-3-en-1-imine
CID 117943408
(E)-3,11-dimethyltetradec-2-en-1-imine
CID 118358413

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine?
The IUPAC name of 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine (CID 91224376) is 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine.
What is the SMILES notation for 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine?
The canonical SMILES for 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine is [H]/N=C/C/C1=C/C=C(CC)CCCC1C.
What is the InChIKey of 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine?
The InChIKey is ZABWNJBSEKYKSN-PJAPGUFOSA-N. The full InChI is InChI=1S/C13H21N/c1-3-12-6-4-5-11(2)13(8-7-12)9-10-14/h7-8,10-11,14H,3-6,9H2,1-2H3/b12-7?,13-8-,14-10+.
What are the key properties of 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine?
2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine has a molecular weight of 191.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine is sourced from PubChem (CID 91224376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).