4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride

C8H14ClNO — CID 134691146

IUPAC4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride
SMILESCl.NC1C2CC3COC1C3C2
InChIInChI=1S/C8H13NO.ClH/c9-7-4-1-5-3-10-8(7)6(5)2-4;/h4-8H,1-3,9H2;1H
InChIKeyHSMDRSVFKVIOTP-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.79
Rot. Bonds

About 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride

4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride (PubChem CID 134691146) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride
PubChem CID134691146
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride
SMILESCl.NC1C2CC3COC1C3C2
InChIInChI=1S/C8H13NO.ClH/c9-7-4-1-5-3-10-8(7)6(5)2-4;/h4-8H,1-3,9H2;1H
InChIKeyHSMDRSVFKVIOTP-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxatricyclo[4.2.1.03,7]nonan-2-amine
CID 12850951
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
CID 142869266
(3R)-tricyclo[2.2.1.02,6]heptan-3-amine
CID 101101886
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine;dihydrochloride
CID 75601610
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
adamantane-2,4-diamine
CID 12813520
2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
CID 119031067
1,1,1,3,3,3-hexafluoro-2-(4-oxatricyclo[4.2.1.03,7]nonan-2-yloxycarbonyl)propane-2-sulfonic acid
CID 139393199
4-thiatricyclo[4.2.1.03,7]nonan-2-amine
CID 12792732
(1S,2S,3S,6R,7S)-4-thiatricyclo[4.2.1.03,7]nonan-2-amine
CID 98093555
cyclopentyl(4-oxatricyclo[4.2.1.03,7]nonan-2-yloxycarbonyloxy)methanesulfonic acid
CID 160715461
hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
CID 134863739

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride?
The IUPAC name of 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride (CID 134691146) is 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride.
What is the SMILES notation for 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride?
The canonical SMILES for 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride is Cl.NC1C2CC3COC1C3C2.
What is the InChIKey of 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride?
The InChIKey is HSMDRSVFKVIOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c9-7-4-1-5-3-10-8(7)6(5)2-4;/h4-8H,1-3,9H2;1H.
What are the key properties of 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride?
4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride is sourced from PubChem (CID 134691146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).