N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine

C13H19NO — CID 168971317

IUPACN-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine
SMILESCCNC1CC2=C(CC=C(OC)C=C2)C1
InChIInChI=1S/C13H19NO/c1-3-14-12-8-10-4-6-13(15-2)7-5-11(10)9-12/h4,6-7,12,14H,3,5,8-9H2,1-2H3
InChIKeyXNPXIJCCIATFAF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds3

About N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine

N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine (PubChem CID 168971317) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine
PubChem CID168971317
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine
SMILESCCNC1CC2=C(CC=C(OC)C=C2)C1
InChIInChI=1S/C13H19NO/c1-3-14-12-8-10-4-6-13(15-2)7-5-11(10)9-12/h4,6-7,12,14H,3,5,8-9H2,1-2H3
InChIKeyXNPXIJCCIATFAF-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine?
The IUPAC name of N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine (CID 168971317) is N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine.
What is the SMILES notation for N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine?
The canonical SMILES for N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine is CCNC1CC2=C(CC=C(OC)C=C2)C1.
What is the InChIKey of N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine?
The InChIKey is XNPXIJCCIATFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-12-8-10-4-6-13(15-2)7-5-11(10)9-12/h4,6-7,12,14H,3,5,8-9H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine?
N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-1,2,3,4-tetrahydroazulen-2-amine is sourced from PubChem (CID 168971317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).