2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone

C13H22N2O — CID 97392926

IUPAC2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCCN1CCC2(C1)CN(C(=O)CC1CC1)C2
InChIInChI=1S/C13H22N2O/c1-2-14-6-5-13(8-14)9-15(10-13)12(16)7-11-3-4-11/h11H,2-10H2,1H3
InChIKeyCHXFSRLNNZXCCC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.34
Rot. Bonds3

About 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone

2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone (PubChem CID 97392926) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
PubChem CID97392926
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCCN1CCC2(C1)CN(C(=O)CC1CC1)C2
InChIInChI=1S/C13H22N2O/c1-2-14-6-5-13(8-14)9-15(10-13)12(16)7-11-3-4-11/h11H,2-10H2,1H3
InChIKeyCHXFSRLNNZXCCC-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
CID 134076233
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
CID 164633620
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
(5S,8R)-2-ethyl-2-azaspiro[4.4]nonan-8-amine
CID 98084994
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
N,2-diethyl-N-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 166144244
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone (CID 97392926) is 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone is CCN1CCC2(C1)CN(C(=O)CC1CC1)C2.
What is the InChIKey of 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The InChIKey is CHXFSRLNNZXCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-14-6-5-13(8-14)9-15(10-13)12(16)7-11-3-4-11/h11H,2-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 222.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 97392926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).