(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine

C8H15NO — CID 155895836

IUPAC(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
SMILESCC1CC12COC(CN)C2
InChIInChI=1S/C8H15NO/c1-6-2-8(6)3-7(4-9)10-5-8/h6-7H,2-5,9H2,1H3
InChIKeyYMPCKZIBNHNYIT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds1

About (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine

(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine (PubChem CID 155895836) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
PubChem CID155895836
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
SMILESCC1CC12COC(CN)C2
InChIInChI=1S/C8H15NO/c1-6-2-8(6)3-7(4-9)10-5-8/h6-7H,2-5,9H2,1H3
InChIKeyYMPCKZIBNHNYIT-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

(4,4,6,6-tetramethyloxepan-2-yl)methanamine
CID 146666846
[(7R)-6-oxaspiro[3.4]octan-7-yl]methanamine
CID 125457158
6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
CID 126835221
6-oxa-2-azaspiro[3.4]octan-7-ylmethanamine
CID 91618386
(5,5-dimethylmorpholin-2-yl)methanamine
CID 145301110
5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride
CID 154843171
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
7-(iodomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 131408680
(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine
CID 169017959
(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine
CID 126983726
(2S)-2-methylspiro[2.2]pentane
CID 153461113

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine?
The IUPAC name of (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine (CID 155895836) is (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine.
What is the SMILES notation for (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine?
The canonical SMILES for (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine is CC1CC12COC(CN)C2.
What is the InChIKey of (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine?
The InChIKey is YMPCKZIBNHNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-2-8(6)3-7(4-9)10-5-8/h6-7H,2-5,9H2,1H3.
What are the key properties of (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine?
(2-methyl-5-oxaspiro[2.4]heptan-6-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 (2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine is sourced from PubChem (CID 155895836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).