6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one

C14H25NO — CID 116607458

IUPAC6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
SMILESCC(CN)CCC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-10(9-15)2-5-14(16)8-13-7-11-3-4-12(13)6-11/h10-13H,2-9,15H2,1H3
InChIKeyMAZCGWKHBZIVJH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds6

About 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one

6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one (PubChem CID 116607458) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
PubChem CID116607458
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
SMILESCC(CN)CCC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-10(9-15)2-5-14(16)8-13-7-11-3-4-12(13)6-11/h10-13H,2-9,15H2,1H3
InChIKeyMAZCGWKHBZIVJH-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
CID 116578391
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960
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
1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
CID 114976894
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
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
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-one
CID 114964939
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976701

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one?
The IUPAC name of 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one (CID 116607458) is 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one.
What is the SMILES notation for 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one?
The canonical SMILES for 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one is CC(CN)CCC(=O)CC1CC2CCC1C2.
What is the InChIKey of 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one?
The InChIKey is MAZCGWKHBZIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(9-15)2-5-14(16)8-13-7-11-3-4-12(13)6-11/h10-13H,2-9,15H2,1H3.
What are the key properties of 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one?
6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one is sourced from PubChem (CID 116607458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).