N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine

C16H25N3O — CID 79914070

IUPACN-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H25N3O/c1-2-8-17-14(15-18-9-4-10-19-15)13-5-11-20-16(12-13)6-3-7-16/h4,9-10,13-14,17H,2-3,5-8,11-12H2,1H3
InChIKeySUECPJKFWRGWEO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.87
Rot. Bonds5

About N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine

N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 79914070) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
PubChem CID79914070
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H25N3O/c1-2-8-17-14(15-18-9-4-10-19-15)13-5-11-20-16(12-13)6-3-7-16/h4,9-10,13-14,17H,2-3,5-8,11-12H2,1H3
InChIKeySUECPJKFWRGWEO-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105010353
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196

Frequently Asked Questions

What is the IUPAC name of N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine (CID 79914070) is N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine is CCCNC(c1ncccn1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is SUECPJKFWRGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-8-17-14(15-18-9-4-10-19-15)13-5-11-20-16(12-13)6-3-7-16/h4,9-10,13-14,17H,2-3,5-8,11-12H2,1H3.
What are the key properties of N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79914070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).