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

C14H25NO — CID 62612697

IUPAC2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one
SMILESCCCN(CC1CCCCCC1=O)C1CC1
InChIInChI=1S/C14H25NO/c1-2-10-15(13-8-9-13)11-12-6-4-3-5-7-14(12)16/h12-13H,2-11H2,1H3
InChIKeyVSQQJPVQZBCYQS-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds5

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

2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one (PubChem CID 62612697) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one
PubChem CID62612697
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one
SMILESCCCN(CC1CCCCCC1=O)C1CC1
InChIInChI=1S/C14H25NO/c1-2-10-15(13-8-9-13)11-12-6-4-3-5-7-14(12)16/h12-13H,2-11H2,1H3
InChIKeyVSQQJPVQZBCYQS-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one (CID 62612697) is 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one is CCCN(CC1CCCCCC1=O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one?
The InChIKey is VSQQJPVQZBCYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-10-15(13-8-9-13)11-12-6-4-3-5-7-14(12)16/h12-13H,2-11H2,1H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one?
2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one is sourced from PubChem (CID 62612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).