3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine

C22H40N2O — CID 72671730

IUPAC3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCOCC1
InChIInChI=1S/C22H40N2O/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-14-23-13-7-15-24-16-18-25-19-17-24/h8,10,12,23H,5-7,9,11,13-19H2,1-4H3
InChIKeyLJZJVPBSOSBLOL-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.72
Rot. Bonds12

About 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine

3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine (PubChem CID 72671730) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
PubChem CID72671730
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCOCC1
InChIInChI=1S/C22H40N2O/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-14-23-13-7-15-24-16-18-25-19-17-24/h8,10,12,23H,5-7,9,11,13-19H2,1-4H3
InChIKeyLJZJVPBSOSBLOL-UHFFFAOYSA-N
XLogP4.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 72671760
Morpholine, 4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446852
(6Z)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 156020897
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 16258987
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
(2E,6E)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 60168425
(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 60168518
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 72671758
(2Z)-2,3-dimethyl-4-(2,3,6-trimethylmorpholin-4-yl)hepta-2,6-dien-1-amine
CID 89073999
(2Z,4Z)-4-(2-morpholin-4-ylethyl)hexa-2,4-dien-1-amine
CID 89940285

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine?
The IUPAC name of 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine (CID 72671730) is 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine?
The canonical SMILES for 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCOCC1.
What is the InChIKey of 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine?
The InChIKey is LJZJVPBSOSBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-14-23-13-7-15-24-16-18-25-19-17-24/h8,10,12,23H,5-7,9,11,13-19H2,1-4H3.
What are the key properties of 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine?
3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine has a molecular weight of 348.58 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 72671730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).