3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one

C15H25NO — CID 79618760

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CC1CC2CCC1C2)C1CCCC(=O)C1
InChIInChI=1S/C15H25NO/c1-16(14-3-2-4-15(17)9-14)10-13-8-11-5-6-12(13)7-11/h11-14H,2-10H2,1H3
InChIKeyXPQIEKUJTURKNI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.87
Rot. Bonds3

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one (PubChem CID 79618760) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
PubChem CID79618760
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CC1CC2CCC1C2)C1CCCC(=O)C1
InChIInChI=1S/C15H25NO/c1-16(14-3-2-4-15(17)9-14)10-13-8-11-5-6-12(13)7-11/h11-14H,2-10H2,1H3
InChIKeyXPQIEKUJTURKNI-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-methylcyclopentane-1,3-diamine
CID 79468782
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one
CID 130847198
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
CID 79618179
1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79641776
methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79857271
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
CID 116656057
2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile
CID 79552479
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63683962
6-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852288

Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one (CID 79618760) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one is CN(CC1CC2CCC1C2)C1CCCC(=O)C1.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is XPQIEKUJTURKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-16(14-3-2-4-15(17)9-14)10-13-8-11-5-6-12(13)7-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79618760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).