N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

C11H21NO — CID 102896521

IUPACN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C11H21NO/c1-12-9-10-5-8-11(13-10)6-3-2-4-7-11/h10,12H,2-9H2,1H3
InChIKeyZZGDKVBMSQHUBJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds2

About N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (PubChem CID 102896521) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
PubChem CID102896521
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C11H21NO/c1-12-9-10-5-8-11(13-10)6-3-2-4-7-11/h10,12H,2-9H2,1H3
InChIKeyZZGDKVBMSQHUBJ-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-7-azaspiro(4.5)decane
CID 22618189
4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
(1-Oxaspiro[4.5]decan-2-yl)methanamine
CID 86775345
1-Oxaspiro(4.5)decan-2-ylmethanamine hydrochloride
CID 86775344
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (CID 102896521) is N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The InChIKey is ZZGDKVBMSQHUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-9-10-5-8-11(13-10)6-3-2-4-7-11/h10,12H,2-9H2,1H3.
What are the key properties of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine has a molecular weight of 183.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is sourced from PubChem (CID 102896521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).