1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol

C13H25NO2 — CID 116503452

IUPAC1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)C1(CN)CC2CCC1C2
InChIInChI=1S/C13H25NO2/c1-9(7-16-2)12(15)13(8-14)6-10-3-4-11(13)5-10/h9-12,15H,3-8,14H2,1-2H3
InChIKeyOAYNKNWNZFLGDP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.39
Rot. Bonds5

About 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol

1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol (PubChem CID 116503452) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
PubChem CID116503452
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)C1(CN)CC2CCC1C2
InChIInChI=1S/C13H25NO2/c1-9(7-16-2)12(15)13(8-14)6-10-3-4-11(13)5-10/h9-12,15H,3-8,14H2,1-2H3
InChIKeyOAYNKNWNZFLGDP-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
CID 113383710
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 113383719
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
CID 165495975
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
(1S,2S,4S)-2-(2-aminoethyl)bicyclo[2.2.1]heptan-2-ol
CID 124594733
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
(2S)-2-(aminomethyl)bicyclo[2.2.1]heptan-2-amine;platinum(2+);dichloride
CID 11742035
[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106456768
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol (CID 116503452) is 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol is COCC(C)C(O)C1(CN)CC2CCC1C2.
What is the InChIKey of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol?
The InChIKey is OAYNKNWNZFLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(7-16-2)12(15)13(8-14)6-10-3-4-11(13)5-10/h9-12,15H,3-8,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol?
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 116503452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).