ethyl 4-amino-1-methylazepane-4-carboxylate

C10H20N2O2 — CID 65075588

IUPACethyl 4-amino-1-methylazepane-4-carboxylate
SMILESCCOC(=O)C1(N)CCCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-9(13)10(11)5-4-7-12(2)8-6-10/h3-8,11H2,1-2H3
InChIKeyOSXJUHCGCLDSDI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About ethyl 4-amino-1-methylazepane-4-carboxylate

ethyl 4-amino-1-methylazepane-4-carboxylate (PubChem CID 65075588) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 4-amino-1-methylazepane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-methylazepane-4-carboxylate
PubChem CID65075588
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 4-amino-1-methylazepane-4-carboxylate
SMILESCCOC(=O)C1(N)CCCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-9(13)10(11)5-4-7-12(2)8-6-10/h3-8,11H2,1-2H3
InChIKeyOSXJUHCGCLDSDI-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-methylazepane-4-carboxylate?
The IUPAC name of ethyl 4-amino-1-methylazepane-4-carboxylate (CID 65075588) is ethyl 4-amino-1-methylazepane-4-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-methylazepane-4-carboxylate?
The canonical SMILES for ethyl 4-amino-1-methylazepane-4-carboxylate is CCOC(=O)C1(N)CCCN(C)CC1.
What is the InChIKey of ethyl 4-amino-1-methylazepane-4-carboxylate?
The InChIKey is OSXJUHCGCLDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-9(13)10(11)5-4-7-12(2)8-6-10/h3-8,11H2,1-2H3.
What are the key properties of ethyl 4-amino-1-methylazepane-4-carboxylate?
ethyl 4-amino-1-methylazepane-4-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-methylazepane-4-carboxylate is sourced from PubChem (CID 65075588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).