N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine

C16H21N — CID 156569387

IUPACN-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C1(CC)C=CC1(C)CC
InChIInChI=1S/C16H21N/c1-5-15(4)11-12-16(15,6-2)17-14-10-8-7-9-13(14)3/h7-12H,3,5-6H2,1-2,4H3/b17-14+
InChIKeyYNAYQLFORXWUIQ-SAPNQHFASA-N
MW227.35 g/mol
LogP4.24
Rot. Bonds3

About N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine

N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 156569387) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID156569387
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C1(CC)C=CC1(C)CC
InChIInChI=1S/C16H21N/c1-5-15(4)11-12-16(15,6-2)17-14-10-8-7-9-13(14)3/h7-12H,3,5-6H2,1-2,4H3/b17-14+
InChIKeyYNAYQLFORXWUIQ-SAPNQHFASA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,6,10-pentamethyl-8-(2,5,5-trimethyl-4,5-dihydro-3H-pyrrol-3-ylidene)-2-azaspiro[4.5]deca-1,6,9-triene
CID 1263295
(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride
CID 134483700
N-(1,6-dimethylcyclohex-2-en-1-yl)-2,4-dimethylpent-1-en-3-imine
CID 88234578
N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
CID 123610926
6-But-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123681175
6-Ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123781108
6-Ethenyl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123865418
6-But-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123965894
2,3,5-trimethyl-4-[(2Z,7Z)-6-methylidenenona-2,7-dien-3-yl]-2-propylpyrrole
CID 126695780
2-[3-[(6-Iminocyclohexa-2,4-dien-1-ylidene)amino]-2,3-dimethylpentan-2-yl]cyclohexa-1,3-dien-1-amine
CID 129292313
(1Z)-1-(3-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N,3,4,4-tetramethylpentan-2-imine
CID 138507213
8-but-3-enyl-N,7,7-trimethyl-8H-benzo[7]annulen-6-imine
CID 142922304

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine (CID 156569387) is N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C1(CC)C=CC1(C)CC.
What is the InChIKey of N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is YNAYQLFORXWUIQ-SAPNQHFASA-N. The full InChI is InChI=1S/C16H21N/c1-5-15(4)11-12-16(15,6-2)17-14-10-8-7-9-13(14)3/h7-12H,3,5-6H2,1-2,4H3/b17-14+.
What are the key properties of N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine?
N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 227.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 156569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).