N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine

C10H17NO — CID 45091080

IUPACN-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine
SMILESCCNC1(C)C=CC(OC)=C1C
InChIInChI=1S/C10H17NO/c1-5-11-10(3)7-6-9(12-4)8(10)2/h6-7,11H,5H2,1-4H3
InChIKeyJOEBGZXHRPDWDZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds3

About N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine

N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine (PubChem CID 45091080) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine
PubChem CID45091080
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine
SMILESCCNC1(C)C=CC(OC)=C1C
InChIInChI=1S/C10H17NO/c1-5-11-10(3)7-6-9(12-4)8(10)2/h6-7,11H,5H2,1-4H3
InChIKeyJOEBGZXHRPDWDZ-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine?
The IUPAC name of N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine (CID 45091080) is N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine is CCNC1(C)C=CC(OC)=C1C.
What is the InChIKey of N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine?
The InChIKey is JOEBGZXHRPDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-11-10(3)7-6-9(12-4)8(10)2/h6-7,11H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine?
N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1,2-dimethylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 45091080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).