3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine

C9H15NO — CID 173047780

IUPAC3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine
SMILESCCC1=CCCC(N)=C1OC
InChIInChI=1S/C9H15NO/c1-3-7-5-4-6-8(10)9(7)11-2/h5H,3-4,6,10H2,1-2H3
InChIKeyOENVIOICVBPMHB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.93
Rot. Bonds2

About 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine

3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine (PubChem CID 173047780) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine
PubChem CID173047780
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine
SMILESCCC1=CCCC(N)=C1OC
InChIInChI=1S/C9H15NO/c1-3-7-5-4-6-8(10)9(7)11-2/h5H,3-4,6,10H2,1-2H3
InChIKeyOENVIOICVBPMHB-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173111203
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CID 60083203
CID 66759385
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CID 66759387
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CID 68172558
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CID 89035381
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CID 89240453
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CID 90357645
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CID 126735355
CID 126735355

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine (CID 173047780) is 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine is CCC1=CCCC(N)=C1OC.
What is the InChIKey of 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine?
The InChIKey is OENVIOICVBPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7-5-4-6-8(10)9(7)11-2/h5H,3-4,6,10H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine?
3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 173047780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).