(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol

C11H21NO — CID 141148513

IUPAC(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
SMILESC=C/C=C\C[C@@H](C)[C@@H](O)[C@H](C)NC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-9(2)11(13)10(3)12-4/h5-7,9-13H,1,8H2,2-4H3/b7-6-/t9-,10+,11-/m1/s1
InChIKeyTZXSVWDAYNCDDM-IYTSYXLSSA-N
MW183.29 g/mol
LogP1.72
Rot. Bonds6

About (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol

(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol (PubChem CID 141148513) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
PubChem CID141148513
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
SMILESC=C/C=C\C[C@@H](C)[C@@H](O)[C@H](C)NC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-9(2)11(13)10(3)12-4/h5-7,9-13H,1,8H2,2-4H3/b7-6-/t9-,10+,11-/m1/s1
InChIKeyTZXSVWDAYNCDDM-IYTSYXLSSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol with MolForge

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Related Compounds

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CID 129650447
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
m-Hydroxypseudoephedrine
CID 129705379
N-(beta-oxyethyl)-pseudoephedrine
CID 129763055
4-Dihydroxypseudoephedrin
CID 129888515

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol?
The IUPAC name of (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol (CID 141148513) is (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol.
What is the SMILES notation for (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol?
The canonical SMILES for (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol is C=C/C=C\C[C@@H](C)[C@@H](O)[C@H](C)NC.
What is the InChIKey of (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol?
The InChIKey is TZXSVWDAYNCDDM-IYTSYXLSSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-8-9(2)11(13)10(3)12-4/h5-7,9-13H,1,8H2,2-4H3/b7-6-/t9-,10+,11-/m1/s1.
What are the key properties of (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol?
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol is sourced from PubChem (CID 141148513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).