1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one

C14H25NO — CID 116580687

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H25NO/c1-14(2,3)7-6-11(16)12-9-4-5-10(8-9)13(12)15/h9-10,12-13H,4-8,15H2,1-3H3
InChIKeyHGSXYVAFYOJUHU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one (PubChem CID 116580687) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one
PubChem CID116580687
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H25NO/c1-14(2,3)7-6-11(16)12-9-4-5-10(8-9)13(12)15/h9-10,12-13H,4-8,15H2,1-3H3
InChIKeyHGSXYVAFYOJUHU-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 178194354
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
CID 116580723
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
CID 116580735
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
ethyl (1R,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 98135731
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103809511
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
CID 116580664
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one (CID 116580687) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one is CC(C)(C)CCC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one?
The InChIKey is HGSXYVAFYOJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,3)7-6-11(16)12-9-4-5-10(8-9)13(12)15/h9-10,12-13H,4-8,15H2,1-3H3.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 116580687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).