2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one

C13H23NO — CID 62613017

IUPAC2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
SMILESCCN(CC1CCCCCC1=O)C1CC1
InChIInChI=1S/C13H23NO/c1-2-14(12-8-9-12)10-11-6-4-3-5-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyHZKIOUCZUGAJEA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds4

About 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one

2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one (PubChem CID 62613017) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
PubChem CID62613017
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
SMILESCCN(CC1CCCCCC1=O)C1CC1
InChIInChI=1S/C13H23NO/c1-2-14(12-8-9-12)10-11-6-4-3-5-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyHZKIOUCZUGAJEA-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one?
The IUPAC name of 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one (CID 62613017) is 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one?
The canonical SMILES for 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one is CCN(CC1CCCCCC1=O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one?
The InChIKey is HZKIOUCZUGAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14(12-8-9-12)10-11-6-4-3-5-7-13(11)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one?
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one is sourced from PubChem (CID 62613017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).