4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine

C24H39N — CID 123875553

IUPAC4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine
SMILES[H]/N=C1/C(C)CC=C(C(C)=CCC)C(C)C(C)=C(C=CCC)CC1CC
InChIInChI=1S/C24H39N/c1-8-11-13-22-16-21(10-3)24(25)18(5)14-15-23(17(4)12-9-2)20(7)19(22)6/h11-13,15,18,20-21,25H,8-10,14,16H2,1-7H3/b13-11?,17-12?,22-19?,23-15?,25-24-
InChIKeyBJGXTQIBSAKYQW-KUKBAGLTSA-N
MW341.58 g/mol
LogP7.66
Rot. Bonds5

About 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine

4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine (PubChem CID 123875553) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine.

Molecular Properties

Compound Name4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine
PubChem CID123875553
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine
SMILES[H]/N=C1/C(C)CC=C(C(C)=CCC)C(C)C(C)=C(C=CCC)CC1CC
InChIInChI=1S/C24H39N/c1-8-11-13-22-16-21(10-3)24(25)18(5)14-15-23(17(4)12-9-2)20(7)19(22)6/h11-13,15,18,20-21,25H,8-10,14,16H2,1-7H3/b13-11?,17-12?,22-19?,23-15?,25-24-
InChIKeyBJGXTQIBSAKYQW-KUKBAGLTSA-N
XLogP7.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
4-[(3E,7E)-7-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]nona-3,7-dien-2-yl]cyclohex-3-en-1-imine
CID 162546879
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
(2Z)-1-[4-[4-[4-[(E)-hept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
CID 88530058
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429

Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine?
The IUPAC name of 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine (CID 123875553) is 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine.
What is the SMILES notation for 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine?
The canonical SMILES for 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine is [H]/N=C1/C(C)CC=C(C(C)=CCC)C(C)C(C)=C(C=CCC)CC1CC.
What is the InChIKey of 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine?
The InChIKey is BJGXTQIBSAKYQW-KUKBAGLTSA-N. The full InChI is InChI=1S/C24H39N/c1-8-11-13-22-16-21(10-3)24(25)18(5)14-15-23(17(4)12-9-2)20(7)19(22)6/h11-13,15,18,20-21,25H,8-10,14,16H2,1-7H3/b13-11?,17-12?,22-19?,23-15?,25-24-.
What are the key properties of 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine?
4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine has a molecular weight of 341.58 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine is sourced from PubChem (CID 123875553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).