N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

C13H25NO — CID 79915589

IUPACN,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCNC(C(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-10(2)12(14-3)11-5-8-15-13(9-11)6-4-7-13/h10-12,14H,4-9H2,1-3H3
InChIKeyIJFGMGAZIKFUFQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (PubChem CID 79915589) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
PubChem CID79915589
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCNC(C(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-10(2)12(14-3)11-5-8-15-13(9-11)6-4-7-13/h10-12,14H,4-9H2,1-3H3
InChIKeyIJFGMGAZIKFUFQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 116725429
1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
CID 79298060
2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 105012128
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010023

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (CID 79915589) is N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is CNC(C(C)C)C1CCOC2(CCC2)C1.
What is the InChIKey of N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The InChIKey is IJFGMGAZIKFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(14-3)11-5-8-15-13(9-11)6-4-7-13/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is sourced from PubChem (CID 79915589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).