4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

C15H29NO — CID 114211655

IUPAC4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)9-5-13(16)12-6-10-17-15(11-12)7-4-8-15/h12-13H,4-11,16H2,1-3H3
InChIKeyALQOEQUKKWHCPX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds3

About 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (PubChem CID 114211655) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
PubChem CID114211655
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)9-5-13(16)12-6-10-17-15(11-12)7-4-8-15/h12-13H,4-11,16H2,1-3H3
InChIKeyALQOEQUKKWHCPX-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105017958

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (CID 114211655) is 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is CC(C)(C)CCC(N)C1CCOC2(CCC2)C1.
What is the InChIKey of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The InChIKey is ALQOEQUKKWHCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)9-5-13(16)12-6-10-17-15(11-12)7-4-8-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is sourced from PubChem (CID 114211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).