1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine

C17H26N2O2 — CID 105167578

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26N2O2/c18-16(5-4-15-3-1-2-9-19-15)14-6-10-21-17(13-14)7-11-20-12-8-17/h1-3,9,14,16H,4-8,10-13,18H2
InChIKeyPOVFVQRXYYCNBI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105167578) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105167578
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26N2O2/c18-16(5-4-15-3-1-2-9-19-15)14-6-10-21-17(13-14)7-11-20-12-8-17/h1-3,9,14,16H,4-8,10-13,18H2
InChIKeyPOVFVQRXYYCNBI-UHFFFAOYSA-N
XLogP2.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
CID 105170221
[1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropyl]hydrazine
CID 105325468
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
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
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine
CID 105170881
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105170846
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine (CID 105167578) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine is NC(CCc1ccccn1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is POVFVQRXYYCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16(5-4-15-3-1-2-9-19-15)14-6-10-21-17(13-14)7-11-20-12-8-17/h1-3,9,14,16H,4-8,10-13,18H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105167578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).