(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine

C12H21NO — CID 166966629

IUPAC(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine
SMILESC=C/C=C(C)\C=C/CC(CNC)OC
InChIInChI=1S/C12H21NO/c1-5-7-11(2)8-6-9-12(14-4)10-13-3/h5-8,12-13H,1,9-10H2,2-4H3/b8-6-,11-7-
InChIKeyRMLWBEYHTMRHES-NFNKYSHCSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds7

About (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine

(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine (PubChem CID 166966629) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine
PubChem CID166966629
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine
SMILESC=C/C=C(C)\C=C/CC(CNC)OC
InChIInChI=1S/C12H21NO/c1-5-7-11(2)8-6-9-12(14-4)10-13-3/h5-8,12-13H,1,9-10H2,2-4H3/b8-6-,11-7-
InChIKeyRMLWBEYHTMRHES-NFNKYSHCSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine?
The IUPAC name of (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine (CID 166966629) is (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine.
What is the SMILES notation for (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine?
The canonical SMILES for (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine is C=C/C=C(C)\C=C/CC(CNC)OC.
What is the InChIKey of (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine?
The InChIKey is RMLWBEYHTMRHES-NFNKYSHCSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-11(2)8-6-9-12(14-4)10-13-3/h5-8,12-13H,1,9-10H2,2-4H3/b8-6-,11-7-.
What are the key properties of (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine?
(4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-methoxy-N,6-dimethylnona-4,6,8-trien-1-amine is sourced from PubChem (CID 166966629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).