(3E)-6-amino-6-methylnona-3,8-dienoic acid

C10H17NO2 — CID 169196246

IUPAC(3E)-6-amino-6-methylnona-3,8-dienoic acid
SMILESC=CCC(C)(N)C/C=C/CC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-7-10(2,11)8-5-4-6-9(12)13/h3-5H,1,6-8,11H2,2H3,(H,12,13)/b5-4+
InChIKeySDASRXMGNFBEMG-SNAWJCMRSA-N
MW183.25 g/mol
LogP1.70
Rot. Bonds6

About (3E)-6-amino-6-methylnona-3,8-dienoic acid

(3E)-6-amino-6-methylnona-3,8-dienoic acid (PubChem CID 169196246) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3E)-6-amino-6-methylnona-3,8-dienoic acid.

Molecular Properties

Compound Name(3E)-6-amino-6-methylnona-3,8-dienoic acid
PubChem CID169196246
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3E)-6-amino-6-methylnona-3,8-dienoic acid
SMILESC=CCC(C)(N)C/C=C/CC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-7-10(2,11)8-5-4-6-9(12)13/h3-5H,1,6-8,11H2,2H3,(H,12,13)/b5-4+
InChIKeySDASRXMGNFBEMG-SNAWJCMRSA-N
XLogP1.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-amino-6-methylnona-3,8-dienoic acid?
The IUPAC name of (3E)-6-amino-6-methylnona-3,8-dienoic acid (CID 169196246) is (3E)-6-amino-6-methylnona-3,8-dienoic acid.
What is the SMILES notation for (3E)-6-amino-6-methylnona-3,8-dienoic acid?
The canonical SMILES for (3E)-6-amino-6-methylnona-3,8-dienoic acid is C=CCC(C)(N)C/C=C/CC(=O)O.
What is the InChIKey of (3E)-6-amino-6-methylnona-3,8-dienoic acid?
The InChIKey is SDASRXMGNFBEMG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-7-10(2,11)8-5-4-6-9(12)13/h3-5H,1,6-8,11H2,2H3,(H,12,13)/b5-4+.
What are the key properties of (3E)-6-amino-6-methylnona-3,8-dienoic acid?
(3E)-6-amino-6-methylnona-3,8-dienoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-amino-6-methylnona-3,8-dienoic acid is sourced from PubChem (CID 169196246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).