(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine

C8H15NO — CID 155977974

IUPAC(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine
SMILESCC12CC(C1)C(CN)CO2
InChIInChI=1S/C8H15NO/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7H,2-5,9H2,1H3
InChIKeyPWEDQFRHXXLSBC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds1

About (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine

(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine (PubChem CID 155977974) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine
PubChem CID155977974
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine
SMILESCC12CC(C1)C(CN)CO2
InChIInChI=1S/C8H15NO/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7H,2-5,9H2,1H3
InChIKeyPWEDQFRHXXLSBC-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
(2,2-dimethyloxan-4-yl)methanamine
CID 13202183
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
5-amino-2,2-dimethyloxan-4-ol
CID 123616838
[(6R)-5-methylspiro[2.4]heptan-6-yl]methanamine
CID 163488510
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(2,2-dimethylthiolan-3-yl)methanamine
CID 82417758

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine?
The IUPAC name of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine (CID 155977974) is (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine.
What is the SMILES notation for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine?
The canonical SMILES for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine is CC12CC(C1)C(CN)CO2.
What is the InChIKey of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine?
The InChIKey is PWEDQFRHXXLSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7H,2-5,9H2,1H3.
What are the key properties of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine?
(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanamine is sourced from PubChem (CID 155977974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).