1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol

C13H23NO — CID 79550906

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c15-13(8-14-12-3-4-12)7-11-6-9-1-2-10(11)5-9/h9-15H,1-8H2
InChIKeyYDDXZANQJVHISR-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol (PubChem CID 79550906) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
PubChem CID79550906
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c15-13(8-14-12-3-4-12)7-11-6-9-1-2-10(11)5-9/h9-15H,1-8H2
InChIKeyYDDXZANQJVHISR-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
CID 79558762
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
CID 79563384
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
CID 79558650
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol (CID 79550906) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is YDDXZANQJVHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(8-14-12-3-4-12)7-11-6-9-1-2-10(11)5-9/h9-15H,1-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 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-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 79550906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).