5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one

C18H33NO — CID 116578391

IUPAC5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
SMILESCC(C)(C)C(CCN)CCC(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H33NO/c1-18(2,3)16(8-9-19)6-7-17(20)12-15-11-13-4-5-14(15)10-13/h13-16H,4-12,19H2,1-3H3
InChIKeyVVVDLTXUEMNYDM-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.17
Rot. Bonds7

About 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one

5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one (PubChem CID 116578391) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
PubChem CID116578391
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
SMILESCC(C)(C)C(CCN)CCC(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H33NO/c1-18(2,3)16(8-9-19)6-7-17(20)12-15-11-13-4-5-14(15)10-13/h13-16H,4-12,19H2,1-3H3
InChIKeyVVVDLTXUEMNYDM-UHFFFAOYSA-N
XLogP4.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-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

6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
CID 116607458
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
CID 116607768
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
CID 114976894
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
CID 83139469
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-one
CID 114964939
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one (CID 116578391) is 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one is CC(C)(C)C(CCN)CCC(=O)CC1CC2CCC1C2.
What is the InChIKey of 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one?
The InChIKey is VVVDLTXUEMNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-18(2,3)16(8-9-19)6-7-17(20)12-15-11-13-4-5-14(15)10-13/h13-16H,4-12,19H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one?
5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one has a molecular weight of 279.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one is sourced from PubChem (CID 116578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).