(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol

C10H17NO — CID 166735004

IUPAC(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol
SMILESC=C/C=C\C(N)=C/CC(C)(C)O
InChIInChI=1S/C10H17NO/c1-4-5-6-9(11)7-8-10(2,3)12/h4-7,12H,1,8,11H2,2-3H3/b6-5-,9-7+
InChIKeyAAQAIKCKPKJLFK-BZWSEGBZSA-N
MW167.25 g/mol
LogP1.73
Rot. Bonds4

About (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol

(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol (PubChem CID 166735004) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol.

Molecular Properties

Compound Name(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol
PubChem CID166735004
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol
SMILESC=C/C=C\C(N)=C/CC(C)(C)O
InChIInChI=1S/C10H17NO/c1-4-5-6-9(11)7-8-10(2,3)12/h4-7,12H,1,8,11H2,2-3H3/b6-5-,9-7+
InChIKeyAAQAIKCKPKJLFK-BZWSEGBZSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 22034802
4-Amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 67096136
4-(5-Aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
CID 69305731
(4Z)-6-amino-3-methylhepta-4,6-dien-3-ol
CID 132043465
(3E,5E,8E,9Z)-11-amino-8-ethylidene-6-methyl-7-methylidenedodeca-3,5,9,11-tetraen-3-ol
CID 132047364
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
(2Z,5Z)-7-amino-1,4,4-trimethylcyclonona-2,5,7-trien-1-ol;ethane
CID 141869139
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
CID 143051944
acetylene;(1E)-3-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol;ethane
CID 143357506
(E)-5-amino-2-methylhex-4-en-2-ol
CID 144084506
(3Z)-3-[(Z)-but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;2,3-dimethylbutan-2-ol
CID 153399902
3-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 154274448

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol?
The IUPAC name of (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol (CID 166735004) is (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol.
What is the SMILES notation for (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol?
The canonical SMILES for (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol is C=C/C=C\C(N)=C/CC(C)(C)O.
What is the InChIKey of (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol?
The InChIKey is AAQAIKCKPKJLFK-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-9(11)7-8-10(2,3)12/h4-7,12H,1,8,11H2,2-3H3/b6-5-,9-7+.
What are the key properties of (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol?
(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol is sourced from PubChem (CID 166735004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).