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

C13H25NO — CID 102896742

IUPAC2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-10-11-6-9-13(15-11)7-4-5-8-13/h11,14H,4-10H2,1-3H3
InChIKeyWASHBZFNOKWIDK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds2

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

2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine (PubChem CID 102896742) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
PubChem CID102896742
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-10-11-6-9-13(15-11)7-4-5-8-13/h11,14H,4-10H2,1-3H3
InChIKeyWASHBZFNOKWIDK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 107865302
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine (CID 102896742) is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine is CC(C)(C)NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The InChIKey is WASHBZFNOKWIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)14-10-11-6-9-13(15-11)7-4-5-8-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 2 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)propan-2-amine is sourced from PubChem (CID 102896742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).