N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine

C18H34N2O — CID 79902799

IUPACN-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C18H34N2O/c1-3-10-19-15(2)16-6-4-11-20(14-16)17-7-12-21-18(13-17)8-5-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyQGYRWGLZWYUSMJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds5

About N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 79902799) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
PubChem CID79902799
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C18H34N2O/c1-3-10-19-15(2)16-6-4-11-20(14-16)17-7-12-21-18(13-17)8-5-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyQGYRWGLZWYUSMJ-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
CID 79897600
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine (CID 79902799) is N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is QGYRWGLZWYUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-10-19-15(2)16-6-4-11-20(14-16)17-7-12-21-18(13-17)8-5-9-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).