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

C18H35NO — CID 79911364

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO/c1-3-5-9-17(19-13-4-2)16-10-14-20-18(15-16)11-7-6-8-12-18/h16-17,19H,3-15H2,1-2H3
InChIKeyUJYWYEYFJZFDRP-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds7

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

1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine (PubChem CID 79911364) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
PubChem CID79911364
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO/c1-3-5-9-17(19-13-4-2)16-10-14-20-18(15-16)11-7-6-8-12-18/h16-17,19H,3-15H2,1-2H3
InChIKeyUJYWYEYFJZFDRP-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine (CID 79911364) is 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine is CCCCC(NCCC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The InChIKey is UJYWYEYFJZFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-9-17(19-13-4-2)16-10-14-20-18(15-16)11-7-6-8-12-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.67, 7 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)-N-propylpentan-1-amine is sourced from PubChem (CID 79911364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).