1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C15H25NO — CID 116600831

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNCC1(C(=O)CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H25NO/c16-10-15(5-1-2-6-15)14(17)9-13-8-11-3-4-12(13)7-11/h11-13H,1-10,16H2
InChIKeyMGZVFZZXRCVKFR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 116600831) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID116600831
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNCC1(C(=O)CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H25NO/c16-10-15(5-1-2-6-15)14(17)9-13-8-11-3-4-12(13)7-11/h11-13H,1-10,16H2
InChIKeyMGZVFZZXRCVKFR-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptane-1-carboxamide
CID 63684148
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
CID 115784897
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
CID 80599268
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570498
1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
CID 79561425

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 116600831) is 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is NCC1(C(=O)CC2CC3CCC2C3)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is MGZVFZZXRCVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c16-10-15(5-1-2-6-15)14(17)9-13-8-11-3-4-12(13)7-11/h11-13H,1-10,16H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 235.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 116600831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).