(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine

C7H13NO — CID 89282119

IUPAC(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine
SMILESCC/C=C(/C=C/N)OC
InChIInChI=1S/C7H13NO/c1-3-4-7(9-2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5+,7-4-
InChIKeyNOIBGERJMJWRRQ-NRVNPBJCSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds3

About (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine

(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine (PubChem CID 89282119) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine
PubChem CID89282119
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine
SMILESCC/C=C(/C=C/N)OC
InChIInChI=1S/C7H13NO/c1-3-4-7(9-2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5+,7-4-
InChIKeyNOIBGERJMJWRRQ-NRVNPBJCSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
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

N-2-furylidenepropenylamine
CID 86737848
(1Z,3Z)-5-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 88961656
(1Z,3E)-4-methoxyhexa-1,3,5-trien-1-amine
CID 89034464
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
CID 89131837
(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
CID 89132007
(1Z,3E)-3-methoxyhexa-1,3,5-trien-1-amine
CID 89143709
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89204078
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine
CID 89400041
(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine
CID 90126526
(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine
CID 121263519

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine (CID 89282119) is (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine is CC/C=C(/C=C/N)OC.
What is the InChIKey of (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine?
The InChIKey is NOIBGERJMJWRRQ-NRVNPBJCSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7(9-2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5+,7-4-.
What are the key properties of (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine?
(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-methoxyhexa-1,3-dien-1-amine is sourced from PubChem (CID 89282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).