methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate

C14H25NO2 — CID 91262141

IUPACmethyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate
SMILESCCN(C1CC1)C1CCCCCC1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-3-15(11-9-10-11)13-8-6-4-5-7-12(13)14(16)17-2/h11-13H,3-10H2,1-2H3
InChIKeyIKYNJXDREJVACL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate

methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate (PubChem CID 91262141) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate
PubChem CID91262141
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate
SMILESCCN(C1CC1)C1CCCCCC1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-3-15(11-9-10-11)13-8-6-4-5-7-12(13)14(16)17-2/h11-13H,3-10H2,1-2H3
InChIKeyIKYNJXDREJVACL-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate (CID 91262141) is methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate is CCN(C1CC1)C1CCCCCC1C(=O)OC.
What is the InChIKey of methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate?
The InChIKey is IKYNJXDREJVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-15(11-9-10-11)13-8-6-4-5-7-12(13)14(16)17-2/h11-13H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate?
methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 91262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).