4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one

C14H25NO — CID 116607768

IUPAC4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
SMILESCCCC(N)CC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-2-3-13(15)9-14(16)8-12-7-10-4-5-11(12)6-10/h10-13H,2-9,15H2,1H3
InChIKeyDXCAMPMWTKCMMU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds6

About 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one

4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one (PubChem CID 116607768) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
PubChem CID116607768
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
SMILESCCCC(N)CC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-2-3-13(15)9-14(16)8-12-7-10-4-5-11(12)6-10/h10-13H,2-9,15H2,1H3
InChIKeyDXCAMPMWTKCMMU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-(propylamino)propan-2-one
CID 116562735
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyhexan-2-one
CID 116707982
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-one
CID 114964939
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
CID 116607458
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one?
The IUPAC name of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one (CID 116607768) is 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one.
What is the SMILES notation for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one?
The canonical SMILES for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one is CCCC(N)CC(=O)CC1CC2CCC1C2.
What is the InChIKey of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one?
The InChIKey is DXCAMPMWTKCMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-13(15)9-14(16)8-12-7-10-4-5-11(12)6-10/h10-13H,2-9,15H2,1H3.
What are the key properties of 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one?
4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one is sourced from PubChem (CID 116607768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).