(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine

C10H19NO — CID 103392186

IUPAC(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine
SMILESC=CC/C=C(\CCCN)COC
InChIInChI=1S/C10H19NO/c1-3-4-6-10(9-12-2)7-5-8-11/h3,6H,1,4-5,7-9,11H2,2H3/b10-6+
InChIKeySOVBNARPVSBKGN-UXBLZVDNSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds7

About (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine

(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine (PubChem CID 103392186) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine
PubChem CID103392186
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine
SMILESC=CC/C=C(\CCCN)COC
InChIInChI=1S/C10H19NO/c1-3-4-6-10(9-12-2)7-5-8-11/h3,6H,1,4-5,7-9,11H2,2H3/b10-6+
InChIKeySOVBNARPVSBKGN-UXBLZVDNSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
(Z)-4-methoxyhept-5-en-1-amine
CID 89153850
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
(5E,7Z)-9-methoxynona-5,7-dien-1-amine
CID 146590153
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
CID 177319853
6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
CID 177320019
(E)-4-(methoxymethyl)hex-3-en-1-amine
CID 64395994
4-(Methoxymethyl)hex-3-en-1-amine
CID 77037489

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine?
The IUPAC name of (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine (CID 103392186) is (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine.
What is the SMILES notation for (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine?
The canonical SMILES for (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine is C=CC/C=C(\CCCN)COC.
What is the InChIKey of (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine?
The InChIKey is SOVBNARPVSBKGN-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-6-10(9-12-2)7-5-8-11/h3,6H,1,4-5,7-9,11H2,2H3/b10-6+.
What are the key properties of (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine?
(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethyl)octa-4,7-dien-1-amine is sourced from PubChem (CID 103392186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).