(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine

C12H21NO — CID 129028276

IUPAC(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
SMILESC/C=C\C(=C/C=C(\N)C(C)(C)C)OC
InChIInChI=1S/C12H21NO/c1-6-7-10(14-5)8-9-11(13)12(2,3)4/h6-9H,13H2,1-5H3/b7-6-,10-8+,11-9-
InChIKeySELRUQXNMGFRGP-YXLBRCCFSA-N
MW195.31 g/mol
LogP2.98
Rot. Bonds3

About (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine

(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine (PubChem CID 129028276) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
PubChem CID129028276
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
SMILESC/C=C\C(=C/C=C(\N)C(C)(C)C)OC
InChIInChI=1S/C12H21NO/c1-6-7-10(14-5)8-9-11(13)12(2,3)4/h6-9H,13H2,1-5H3/b7-6-,10-8+,11-9-
InChIKeySELRUQXNMGFRGP-YXLBRCCFSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 163879852
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azane;(but-2-enoylamino) 2-methylpropane-2-sulfonate
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(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
CID 145179802
[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
CID 130256816
methyl 2-[[(E)-but-2-enoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 58348985
N-(trihydroxymethyl)but-2-enamide
CID 154354345
(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
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(but-2-enoylamino) hydrogen sulfite
CID 174802642

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine (CID 129028276) is (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine is C/C=C\C(=C/C=C(\N)C(C)(C)C)OC.
What is the InChIKey of (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine?
The InChIKey is SELRUQXNMGFRGP-YXLBRCCFSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-10(14-5)8-9-11(13)12(2,3)4/h6-9H,13H2,1-5H3/b7-6-,10-8+,11-9-.
What are the key properties of (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine?
(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine is sourced from PubChem (CID 129028276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).