3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one

C14H25NO — CID 116610786

IUPAC3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
SMILESCCC(C)(CN)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-3-14(2,9-15)13(16)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3
InChIKeyJKTBLQWNXBPXPS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds5

About 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one

3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one (PubChem CID 116610786) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
PubChem CID116610786
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
SMILESCCC(C)(CN)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-3-14(2,9-15)13(16)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3
InChIKeyJKTBLQWNXBPXPS-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
CID 114290714
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79558530
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
CID 115784897

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one (CID 116610786) is 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one is CCC(C)(CN)C(=O)CC1CC2CCC1C2.
What is the InChIKey of 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one?
The InChIKey is JKTBLQWNXBPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-14(2,9-15)13(16)8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one?
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one is sourced from PubChem (CID 116610786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).