(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine

C9H15NO — CID 143186298

IUPAC(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C(=C/C)OC
InChIInChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5+,9-6+
InChIKeyONQRJUBOLKSIFK-XVYDYJIPSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds3

About (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine

(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine (PubChem CID 143186298) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine
PubChem CID143186298
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C(=C/C)OC
InChIInChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5+,9-6+
InChIKeyONQRJUBOLKSIFK-XVYDYJIPSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.96
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

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
(3E)-5-methyl-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 177992452
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
2,2-Dimethylpyran-4-amine
CID 68748502
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine
CID 89102283
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
5-methyl-2H-pyran-4-amine
CID 117900896
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine (CID 143186298) is (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine is C=C(C)/C(N)=C\C(=C/C)OC.
What is the InChIKey of (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine?
The InChIKey is ONQRJUBOLKSIFK-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5+,9-6+.
What are the key properties of (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine?
(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine has a molecular weight of 153.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 143186298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).