5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine

C10H15NO — CID 138711950

IUPAC5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
SMILESCCC1=C(OC)CC=C(N)C=C1
InChIInChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-7-10(8)12-2/h4-6H,3,7,11H2,1-2H3
InChIKeyOJDYAXSFIVKKCX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.10
Rot. Bonds2

About 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine

5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine (PubChem CID 138711950) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
PubChem CID138711950
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
SMILESCCC1=C(OC)CC=C(N)C=C1
InChIInChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-7-10(8)12-2/h4-6H,3,7,11H2,1-2H3
InChIKeyOJDYAXSFIVKKCX-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-4-methoxy-2-methylcyclohepta-1,3,6-trien-1-amine
CID 138711459
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-6-methoxyhepta-1,3,6-trien-4-amine
CID 134484577
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
5-(Propan-2-yloxymethylidene)cyclohexa-1,3-dien-1-amine
CID 141747537
(1Z,3Z)-1-methoxy-4-methylhexa-1,3,5-trien-2-amine
CID 141786537
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine
CID 143268189
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine (CID 138711950) is 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine is CCC1=C(OC)CC=C(N)C=C1.
What is the InChIKey of 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine?
The InChIKey is OJDYAXSFIVKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-7-10(8)12-2/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine?
5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 138711950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).