(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine

C11H21NO — CID 103392193

IUPAC(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
SMILESC=CCC/C=C(\CCCN)COC
InChIInChI=1S/C11H21NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h3,7H,1,4-6,8-10,12H2,2H3/b11-7+
InChIKeyFNRRGOFZRYLBCG-YRNVUSSQSA-N
MW183.29 g/mol
LogP2.26
Rot. Bonds8

About (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine

(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine (PubChem CID 103392193) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
PubChem CID103392193
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
SMILESC=CCC/C=C(\CCCN)COC
InChIInChI=1S/C11H21NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h3,7H,1,4-6,8-10,12H2,2H3/b11-7+
InChIKeyFNRRGOFZRYLBCG-YRNVUSSQSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
4-(methoxymethyl)non-4-en-8-yn-1-amine
CID 103392158
4-(methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
4-(3-aminopropyl)oct-4-ene-1,8-diamine
CID 20545797
(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392108
6-ethyl-10-methylundeca-1,5-diene
CID 58970902
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
CID 103392227
(3Z)-3-tridecylidenehexane-1,6-diamine
CID 143379143
heptadec-16-en-1-amine
CID 15590771
1-methoxyoct-7-ene-2,4-dione
CID 14987394
6-but-3-enylundec-5-ene
CID 175604852
13-oct-7-enyltriaconta-1,13-diene
CID 123204509

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine?
The IUPAC name of (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine (CID 103392193) is (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine.
What is the SMILES notation for (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine?
The canonical SMILES for (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine is C=CCC/C=C(\CCCN)COC.
What is the InChIKey of (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine?
The InChIKey is FNRRGOFZRYLBCG-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h3,7H,1,4-6,8-10,12H2,2H3/b11-7+.
What are the key properties of (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine?
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethyl)nona-4,8-dien-1-amine is sourced from PubChem (CID 103392193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).