5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine

C15H29NO — CID 102899087

IUPAC5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-12(2)11-13(16)5-6-14-7-10-15(17-14)8-3-4-9-15/h12-14H,3-11,16H2,1-2H3
InChIKeyRHTUUOZXDJHXAT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.63
Rot. Bonds5

About 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine

5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine (PubChem CID 102899087) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
PubChem CID102899087
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-12(2)11-13(16)5-6-14-7-10-15(17-14)8-3-4-9-15/h12-14H,3-11,16H2,1-2H3
InChIKeyRHTUUOZXDJHXAT-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
CID 102899975
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine?
The IUPAC name of 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine (CID 102899087) is 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine.
What is the SMILES notation for 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine?
The canonical SMILES for 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine is CC(C)CC(N)CCC1CCC2(CCCC2)O1.
What is the InChIKey of 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine?
The InChIKey is RHTUUOZXDJHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)11-13(16)5-6-14-7-10-15(17-14)8-3-4-9-15/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine?
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine is sourced from PubChem (CID 102899087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).