7-amino-2,4,8-trimethylnon-3-ene-2,8-diol

C12H25NO2 — CID 173167800

IUPAC7-amino-2,4,8-trimethylnon-3-ene-2,8-diol
SMILESCC(=CC(C)(C)O)CCC(N)C(C)(C)O
InChIInChI=1S/C12H25NO2/c1-9(8-11(2,3)14)6-7-10(13)12(4,5)15/h8,10,14-15H,6-7,13H2,1-5H3
InChIKeyBPKGDPPQNDOLKZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.58
Rot. Bonds5

About 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol

7-amino-2,4,8-trimethylnon-3-ene-2,8-diol (PubChem CID 173167800) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol.

Molecular Properties

Compound Name7-amino-2,4,8-trimethylnon-3-ene-2,8-diol
PubChem CID173167800
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name7-amino-2,4,8-trimethylnon-3-ene-2,8-diol
SMILESCC(=CC(C)(C)O)CCC(N)C(C)(C)O
InChIInChI=1S/C12H25NO2/c1-9(8-11(2,3)14)6-7-10(13)12(4,5)15/h8,10,14-15H,6-7,13H2,1-5H3
InChIKeyBPKGDPPQNDOLKZ-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 58522169
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
CID 90119324
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
CID 86674766
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
(4S)-4-amino-5,5-dimethylhexanamide
CID 171725194
disodium;3,4-diaminobutane-2,2-diol;hydride
CID 173241441
(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
CID 87392782
3-amino-2-methyl-5-methylsulfanylhexan-2-ol
CID 134285920
(E)-6,7-dichloro-3,7-dimethyloct-2-ene
CID 22151192
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol?
The IUPAC name of 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol (CID 173167800) is 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol.
What is the SMILES notation for 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol?
The canonical SMILES for 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol is CC(=CC(C)(C)O)CCC(N)C(C)(C)O.
What is the InChIKey of 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol?
The InChIKey is BPKGDPPQNDOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(8-11(2,3)14)6-7-10(13)12(4,5)15/h8,10,14-15H,6-7,13H2,1-5H3.
What are the key properties of 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol?
7-amino-2,4,8-trimethylnon-3-ene-2,8-diol has a molecular weight of 215.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,4,8-trimethylnon-3-ene-2,8-diol is sourced from PubChem (CID 173167800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).