[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C7H13NO — CID 144577021

IUPAC[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNC[C@@H]1CC2CCC1O2
InChIInChI=1S/C7H13NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4,8H2/t5-,6?,7?/m0/s1
InChIKeyHOGOLKHCHFSFKN-VTSJMVTISA-N
MW127.19 g/mol
LogP0.51
Rot. Bonds1

About [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 144577021) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID144577021
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNC[C@@H]1CC2CCC1O2
InChIInChI=1S/C7H13NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4,8H2/t5-,6?,7?/m0/s1
InChIKeyHOGOLKHCHFSFKN-VTSJMVTISA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
CID 157490785
7-oxabicyclo[2.2.1]heptan-2-ylmethanesulfonic acid
CID 156806173
2-methyl-N'-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanimidamide
CID 130505243
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine
CID 130505212
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323
3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one
CID 130505238
3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
CID 165033628
2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130505200

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 144577021) is [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NC[C@@H]1CC2CCC1O2.
What is the InChIKey of [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is HOGOLKHCHFSFKN-VTSJMVTISA-N. The full InChI is InChI=1S/C7H13NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4,8H2/t5-,6?,7?/m0/s1.
What are the key properties of [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 127.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 144577021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).