2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C15H29NO — CID 102848061

IUPAC2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO/c1-4-14(2,3)16-12-13-8-11-15(17-13)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyUPBWRZJQLDMOEI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 102848061) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID102848061
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO/c1-4-14(2,3)16-12-13-8-11-15(17-13)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyUPBWRZJQLDMOEI-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2-Cyclohexyl-4,4,5,5-tetramethyloxazolidine
CID 129791990
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
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 105935822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 102848061) is 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CCC(C)(C)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is UPBWRZJQLDMOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-14(2,3)16-12-13-8-11-15(17-13)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 102848061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).