(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine

C9H17NO — CID 130491521

IUPAC(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
SMILESCC1COCCC12CC2CN
InChIInChI=1S/C9H17NO/c1-7-6-11-3-2-9(7)4-8(9)5-10/h7-8H,2-6,10H2,1H3
InChIKeyHNFJYJZXGCFAQI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.01
Rot. Bonds1

About (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine

(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine (PubChem CID 130491521) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
PubChem CID130491521
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
SMILESCC1COCCC12CC2CN
InChIInChI=1S/C9H17NO/c1-7-6-11-3-2-9(7)4-8(9)5-10/h7-8H,2-6,10H2,1H3
InChIKeyHNFJYJZXGCFAQI-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine?
The IUPAC name of (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine (CID 130491521) is (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine is CC1COCCC12CC2CN.
What is the InChIKey of (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine?
The InChIKey is HNFJYJZXGCFAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-6-11-3-2-9(7)4-8(9)5-10/h7-8H,2-6,10H2,1H3.
What are the key properties of (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine?
(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 130491521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).