7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone

C15H26N2O — CID 112701878

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1CC2CCC1N2
InChIInChI=1S/C15H26N2O/c1-2-12-6-4-3-5-9-17(12)15(18)13-10-11-7-8-14(13)16-11/h11-14,16H,2-10H2,1H3
InChIKeyCQZSJOGMEIPCFT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone (PubChem CID 112701878) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
PubChem CID112701878
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1CC2CCC1N2
InChIInChI=1S/C15H26N2O/c1-2-12-6-4-3-5-9-17(12)15(18)13-10-11-7-8-14(13)16-11/h11-14,16H,2-10H2,1H3
InChIKeyCQZSJOGMEIPCFT-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053388
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
(5-amino-2-methylcyclohexyl)-(2-ethylpiperidin-1-yl)methanone
CID 55116507
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
CID 12760884
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132625
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone (CID 112701878) is 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)C1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone?
The InChIKey is CQZSJOGMEIPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-12-6-4-3-5-9-17(12)15(18)13-10-11-7-8-14(13)16-11/h11-14,16H,2-10H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 112701878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).