2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine

C14H27NO — CID 102896545

IUPAC2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO/c1-4-13(2,3)15-11-12-7-10-14(16-12)8-5-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyOJBCWMZUUWJGGE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine

2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine (PubChem CID 102896545) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
PubChem CID102896545
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO/c1-4-13(2,3)15-11-12-7-10-14(16-12)8-5-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyOJBCWMZUUWJGGE-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102897660
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 105935822
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 106292201
3,3,3-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 113750424
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 114127488
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158922
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 114224888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine (CID 102896545) is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine is CCC(C)(C)NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine?
The InChIKey is OJBCWMZUUWJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-13(2,3)15-11-12-7-10-14(16-12)8-5-6-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine?
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 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[4.4]nonan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 102896545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).