1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C14H27NO — CID 79914693

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCCC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-6-13(15)12-7-10-16-14(11-12)8-4-3-5-9-14/h12-13H,2-11,15H2,1H3
InChIKeyPXXDWSZPQCATJG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds3

About 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 79914693) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID79914693
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCCC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-6-13(15)12-7-10-16-14(11-12)8-4-3-5-9-14/h12-13H,2-11,15H2,1H3
InChIKeyPXXDWSZPQCATJG-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(2,2-dimethyloxan-4-yl)butan-1-amine
CID 83047863
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 79914693) is 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CCCC(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is PXXDWSZPQCATJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-6-13(15)12-7-10-16-14(11-12)8-4-3-5-9-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 79914693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).