2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C12H20N2 — CID 83208813

IUPAC2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C12H20N2/c1-3-14-8-10-6-4-5-7-12(13-2)11(10)9-14/h8-9,12-13H,3-7H2,1-2H3
InChIKeyAVYKMFVNYONXNB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.49
Rot. Bonds2

About 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208813) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208813
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C12H20N2/c1-3-14-8-10-6-4-5-7-12(13-2)11(10)9-14/h8-9,12-13H,3-7H2,1-2H3
InChIKeyAVYKMFVNYONXNB-UHFFFAOYSA-N
XLogP2.49
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208813) is 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCn1cc2c(c1)C(NC)CCCC2.
What is the InChIKey of 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is AVYKMFVNYONXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14-8-10-6-4-5-7-12(13-2)11(10)9-14/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 192.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).