4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane

C34H57N — CID 143685811

IUPAC4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane
SMILESC=C(C)C/C(C)=C/N1C(=C)C=CC=C1C(=C)C.C=CCC(C)CC(C)CCC.CC1CCCCC1
InChIInChI=1S/C16H21N.C11H22.C7H14/c1-12(2)10-14(5)11-17-15(6)8-7-9-16(17)13(3)4;1-5-7-10(3)9-11(4)8-6-2;1-7-5-3-2-4-6-7/h7-9,11H,1,3,6,10H2,2,4-5H3;5,10-11H,1,6-9H2,2-4H3;7H,2-6H2,1H3/b14-11+;;
InChIKeyLUDUAFYMYYRXLA-IVKCLRODSA-N
MW479.84 g/mol
LogP11.31
Rot. Bonds10

About 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane

4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane (PubChem CID 143685811) has the molecular formula C34H57N and a molecular weight of 479.84 g/mol. Its IUPAC name is 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane.

Molecular Properties

Compound Name4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane
PubChem CID143685811
Molecular FormulaC34H57N
Molecular Weight479.84 g/mol
Exact Mass479.45
IUPAC Name4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane
SMILESC=C(C)C/C(C)=C/N1C(=C)C=CC=C1C(=C)C.C=CCC(C)CC(C)CCC.CC1CCCCC1
InChIInChI=1S/C16H21N.C11H22.C7H14/c1-12(2)10-14(5)11-17-15(6)8-7-9-16(17)13(3)4;1-5-7-10(3)9-11(4)8-6-2;1-7-5-3-2-4-6-7/h7-9,11H,1,3,6,10H2,2,4-5H3;5,10-11H,1,6-9H2,2-4H3;7H,2-6H2,1H3/b14-11+;;
InChIKeyLUDUAFYMYYRXLA-IVKCLRODSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
1-butyl-4-tert-butyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-2H-pyridine
CID 14078331
4-cyclohexyl-1-ethyl-2H-pyridine
CID 57026355
10-butyl-9-[(E)-2-ethylpent-2-enyl]-2,5,6,9-tetrahydro-1H-acridine
CID 68105562
1,3-dipentyl-2,4-bis(prop-2-enyl)-4H-pyridine
CID 69776635
5-Ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole
CID 70849848
1-decyl-N-(1-decyl-4-nonylcyclohexa-2,4-dien-1-yl)-N-docosyl-4-nonylcyclohexa-2,4-dien-1-amine
CID 87114681
(1Z,8E)-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-9,10-dimethyl-6-(4-pentan-3-yl-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl)-4-azabicyclo[9.4.0]pentadeca-1,8-diene
CID 88530100
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
CID 88699768
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
CID 88700175
2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine
CID 89071231

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane?
The IUPAC name of 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane (CID 143685811) is 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane.
What is the SMILES notation for 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane?
The canonical SMILES for 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane is C=C(C)C/C(C)=C/N1C(=C)C=CC=C1C(=C)C.C=CCC(C)CC(C)CCC.CC1CCCCC1.
What is the InChIKey of 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane?
The InChIKey is LUDUAFYMYYRXLA-IVKCLRODSA-N. The full InChI is InChI=1S/C16H21N.C11H22.C7H14/c1-12(2)10-14(5)11-17-15(6)8-7-9-16(17)13(3)4;1-5-7-10(3)9-11(4)8-6-2;1-7-5-3-2-4-6-7/h7-9,11H,1,3,6,10H2,2,4-5H3;5,10-11H,1,6-9H2,2-4H3;7H,2-6H2,1H3/b14-11+;;.
What are the key properties of 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane?
4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane has a molecular weight of 479.84 g/mol, XLogP of 11.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylnon-1-ene;1-[(1E)-2,4-dimethylpenta-1,4-dienyl]-2-methylidene-6-prop-1-en-2-ylpyridine;methylcyclohexane is sourced from PubChem (CID 143685811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).