(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine

C10H17NO — CID 118670010

IUPAC(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine
SMILESC=C/C=C/CC(C)(N)C(=C)OC
InChIInChI=1S/C10H17NO/c1-5-6-7-8-10(3,11)9(2)12-4/h5-7H,1-2,8,11H2,3-4H3/b7-6+
InChIKeyFWDPEOPDIYRRQI-VOTSOKGWSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds5

About (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine

(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine (PubChem CID 118670010) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine.

Molecular Properties

Compound Name(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine
PubChem CID118670010
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine
SMILESC=C/C=C/CC(C)(N)C(=C)OC
InChIInChI=1S/C10H17NO/c1-5-6-7-8-10(3,11)9(2)12-4/h5-7H,1-2,8,11H2,3-4H3/b7-6+
InChIKeyFWDPEOPDIYRRQI-VOTSOKGWSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine?
The IUPAC name of (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine (CID 118670010) is (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine.
What is the SMILES notation for (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine?
The canonical SMILES for (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine is C=C/C=C/CC(C)(N)C(=C)OC.
What is the InChIKey of (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine?
The InChIKey is FWDPEOPDIYRRQI-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7-8-10(3,11)9(2)12-4/h5-7H,1-2,8,11H2,3-4H3/b7-6+.
What are the key properties of (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine?
(5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methoxy-3-methylocta-1,5,7-trien-3-amine is sourced from PubChem (CID 118670010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).