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

C13H25NO — CID 102896550

IUPAC2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-12-5-8-13(15-12)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyGKIHQQFFEGUTJA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

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

2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (PubChem CID 102896550) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
PubChem CID102896550
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-12-5-8-13(15-12)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyGKIHQQFFEGUTJA-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
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
1,1,1-Trifluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-2-ol
CID 105645075
1,1-Difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-2-ol
CID 105645870
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (CID 102896550) is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is CC(C)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The InChIKey is GKIHQQFFEGUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-14-10-12-5-8-13(15-12)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 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)propan-1-amine is sourced from PubChem (CID 102896550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).