2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine

C24H35N — CID 91062283

IUPAC2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine
SMILESC=C(C)CC(C)=C1C(=C)N(C)C(C2=CC=CCC2)C(CC)C1=C(C)C
InChIInChI=1S/C24H35N/c1-9-21-22(17(4)5)23(18(6)15-16(2)3)19(7)25(8)24(21)20-13-11-10-12-14-20/h10-11,13,21,24H,2,7,9,12,14-15H2,1,3-6,8H3
InChIKeyRMSXCVIUWWQTLZ-UHFFFAOYSA-N
MW337.55 g/mol
LogP6.74
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine

2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine (PubChem CID 91062283) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine
PubChem CID91062283
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine
SMILESC=C(C)CC(C)=C1C(=C)N(C)C(C2=CC=CCC2)C(CC)C1=C(C)C
InChIInChI=1S/C24H35N/c1-9-21-22(17(4)5)23(18(6)15-16(2)3)19(7)25(8)24(21)20-13-11-10-12-14-20/h10-11,13,21,24H,2,7,9,12,14-15H2,1,3-6,8H3
InChIKeyRMSXCVIUWWQTLZ-UHFFFAOYSA-N
XLogP6.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine (CID 91062283) is 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine is C=C(C)CC(C)=C1C(=C)N(C)C(C2=CC=CCC2)C(CC)C1=C(C)C.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine?
The InChIKey is RMSXCVIUWWQTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-9-21-22(17(4)5)23(18(6)15-16(2)3)19(7)25(8)24(21)20-13-11-10-12-14-20/h10-11,13,21,24H,2,7,9,12,14-15H2,1,3-6,8H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine?
2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine has a molecular weight of 337.55 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-3-ethyl-1-methyl-6-methylidene-5-(4-methylpent-4-en-2-ylidene)-4-propan-2-ylidenepiperidine is sourced from PubChem (CID 91062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).