(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide

C40H70N2O2 — CID 162436761

IUPAC(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide
SMILESC=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCCC1.O=CNCCCN1CCOCC1
InChIInChI=1S/C17H28.C15H26.C8H16N2O2/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;11-8-9-2-1-3-10-4-6-12-7-5-10/h9,11-12H,4-8,10,13-14H2,1-3H3;9,12H,4,6-8,10-11H2,1-3,5H3;8H,1-7H2,(H,9,11)/b16-11+;15-12+;
InChIKeyFFCZADOPWAHBNG-WJMBDDEVSA-N
MW611.01 g/mol
LogP10.84
Rot. Bonds18

About (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide (PubChem CID 162436761) has the molecular formula C40H70N2O2 and a molecular weight of 611.01 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide.

Molecular Properties

Compound Name(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide
PubChem CID162436761
Molecular FormulaC40H70N2O2
Molecular Weight611.01 g/mol
Exact Mass610.54
IUPAC Name(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide
SMILESC=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCCC1.O=CNCCCN1CCOCC1
InChIInChI=1S/C17H28.C15H26.C8H16N2O2/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;11-8-9-2-1-3-10-4-6-12-7-5-10/h9,11-12H,4-8,10,13-14H2,1-3H3;9,12H,4,6-8,10-11H2,1-3,5H3;8H,1-7H2,(H,9,11)/b16-11+;15-12+;
InChIKeyFFCZADOPWAHBNG-WJMBDDEVSA-N
XLogP10.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.01
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;[(1S)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-en-1-yl]methyl 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoate;hydroiodide
CID 162436800
(1R,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide
CID 166933259
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde
CID 162436720
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 72671729
4-[3-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-ethyl-5-pentylphenyl]methyl]but-3-enyl]morpholine
CID 167089378
3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde
CID 162436799
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
3-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 4069593
(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
2-[[[2-(cyclohexen-1-yl)ethylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769606

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide?
The IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide (CID 162436761) is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide.
What is the SMILES notation for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide?
The canonical SMILES for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide is C=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCCC1.O=CNCCCN1CCOCC1.
What is the InChIKey of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide?
The InChIKey is FFCZADOPWAHBNG-WJMBDDEVSA-N. The full InChI is InChI=1S/C17H28.C15H26.C8H16N2O2/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;11-8-9-2-1-3-10-4-6-12-7-5-10/h9,11-12H,4-8,10,13-14H2,1-3H3;9,12H,4,6-8,10-11H2,1-3,5H3;8H,1-7H2,(H,9,11)/b16-11+;15-12+;.
What are the key properties of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide?
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide has a molecular weight of 611.01 g/mol, XLogP of 10.84, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide is sourced from PubChem (CID 162436761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).