(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol

C12H21NO — CID 142924430

IUPAC(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C=C(\C)[C@@H](C)NCC
InChIInChI=1S/C12H21NO/c1-5-7-12(14)9-8-10(3)11(4)13-6-2/h5,7-9,11,13-14H,6H2,1-4H3/b7-5-,10-8+,12-9+/t11-/m1/s1
InChIKeyCNLQQEFTNVCLHE-PNHYPVKJSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds5

About (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol

(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol (PubChem CID 142924430) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
PubChem CID142924430
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C=C(\C)[C@@H](C)NCC
InChIInChI=1S/C12H21NO/c1-5-7-12(14)9-8-10(3)11(4)13-6-2/h5,7-9,11,13-14H,6H2,1-4H3/b7-5-,10-8+,12-9+/t11-/m1/s1
InChIKeyCNLQQEFTNVCLHE-PNHYPVKJSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol with MolForge

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Related Compounds

5-Fluoro-5-methyl-3-(propan-2-ylamino)cyclohepta-1,3,6-trien-1-ol
CID 168199361
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
2-(Cyclopropylamino)-3-methylidenehex-4-en-2-ol
CID 123545980
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
5-Methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 131995634
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(3Z)-5-[(4-chloro-3-methylidenepent-4-enyl)amino]hexa-1,3-dien-2-ol
CID 138555216
(2E,4Z)-4-[(2-aminopropylamino)methyl]hepta-2,4,6-trien-3-ol
CID 138698311
(1Z)-1-[3,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ylidene]ethanol
CID 141785750
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol?
The IUPAC name of (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol (CID 142924430) is (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol.
What is the SMILES notation for (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol?
The canonical SMILES for (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol is C/C=C\C(O)=C/C=C(\C)[C@@H](C)NCC.
What is the InChIKey of (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol?
The InChIKey is CNLQQEFTNVCLHE-PNHYPVKJSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-12(14)9-8-10(3)11(4)13-6-2/h5,7-9,11,13-14H,6H2,1-4H3/b7-5-,10-8+,12-9+/t11-/m1/s1.
What are the key properties of (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol?
(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol has a molecular weight of 195.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol is sourced from PubChem (CID 142924430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).