2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C13H25NO — CID 81020446

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-11(10-14)12-5-8-15-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3
InChIKeyBDDFPZJIJWMQKJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds2

About 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 81020446) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID81020446
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-11(10-14)12-5-8-15-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3
InChIKeyBDDFPZJIJWMQKJ-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 81020446) is 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is CC(CN)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is BDDFPZJIJWMQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(10-14)12-5-8-15-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 81020446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).