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

C14H27NO — CID 102896955

IUPAC2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-15-10-12-6-9-14(16-12)7-4-5-8-14/h12,15H,4-11H2,1-3H3
InChIKeyITXLGMUKBGRHJO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds3

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

2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (PubChem CID 102896955) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
PubChem CID102896955
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-15-10-12-6-9-14(16-12)7-4-5-8-14/h12,15H,4-11H2,1-3H3
InChIKeyITXLGMUKBGRHJO-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
N,N,2,2-tetramethyl-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,3-diamine
CID 102896603
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (CID 102896955) is 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is CC(C)(C)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The InChIKey is ITXLGMUKBGRHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)11-15-10-12-6-9-14(16-12)7-4-5-8-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102896955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).