1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine

C12H23NO — CID 79563312

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-13-12(8-14-2)7-11-6-9-3-4-10(11)5-9/h9-13H,3-8H2,1-2H3
InChIKeyPBOMKCFKLPLLKH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 79563312) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID79563312
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-13-12(8-14-2)7-11-6-9-3-4-10(11)5-9/h9-13H,3-8H2,1-2H3
InChIKeyPBOMKCFKLPLLKH-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylidenehexan-2-amine
CID 105005765
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019618
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine (CID 79563312) is 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is PBOMKCFKLPLLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13-12(8-14-2)7-11-6-9-3-4-10(11)5-9/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 79563312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).