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

C12H21NO — CID 60862924

IUPAC2-[cyclopropyl(ethyl)amino]cycloheptan-1-one
SMILESCCN(C1CC1)C1CCCCCC1=O
InChIInChI=1S/C12H21NO/c1-2-13(10-8-9-10)11-6-4-3-5-7-12(11)14/h10-11H,2-9H2,1H3
InChIKeyQQDQWTFRJSJWAL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.37
Rot. Bonds3

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

2-[cyclopropyl(ethyl)amino]cycloheptan-1-one (PubChem CID 60862924) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]cycloheptan-1-one
PubChem CID60862924
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[cyclopropyl(ethyl)amino]cycloheptan-1-one
SMILESCCN(C1CC1)C1CCCCCC1=O
InChIInChI=1S/C12H21NO/c1-2-13(10-8-9-10)11-6-4-3-5-7-12(11)14/h10-11H,2-9H2,1H3
InChIKeyQQDQWTFRJSJWAL-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 43794934
2-[ethyl(piperidin-4-yl)amino]cyclohexan-1-one
CID 62030320
2-[cyclopropyl(cyclopropylmethyl)amino]cycloheptan-1-one
CID 64521596
2-[cyclopropyl(propyl)amino]cyclopentan-1-one
CID 43795493
4-[cyclohexyl(ethyl)amino]cyclohexan-1-one
CID 114761997
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
CID 62613017
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
CID 60892125
2-[methyl(pentyl)amino]cyclohexan-1-one
CID 43796037
3-[methyl-(2-oxocycloheptyl)amino]butanenitrile
CID 63223261
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one (CID 60862924) is 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one is CCN(C1CC1)C1CCCCCC1=O.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one?
The InChIKey is QQDQWTFRJSJWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-13(10-8-9-10)11-6-4-3-5-7-12(11)14/h10-11H,2-9H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one?
2-[cyclopropyl(ethyl)amino]cycloheptan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 60862924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).