N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C17H27N3O — CID 167872124

IUPACN-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ncncc1C(C)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27N3O/c1-13-16(11-18-12-19-13)14(2)20-15-6-9-21-17(10-15)7-4-3-5-8-17/h11-12,14-15,20H,3-10H2,1-2H3
InChIKeyLUDXDWPCUGZVCK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 167872124) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID167872124
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ncncc1C(C)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27N3O/c1-13-16(11-18-12-19-13)14(2)20-15-6-9-21-17(10-15)7-4-3-5-8-17/h11-12,14-15,20H,3-10H2,1-2H3
InChIKeyLUDXDWPCUGZVCK-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 167872124) is N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is Cc1ncncc1C(C)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is LUDXDWPCUGZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-16(11-18-12-19-13)14(2)20-15-6-9-21-17(10-15)7-4-3-5-8-17/h11-12,14-15,20H,3-10H2,1-2H3.
What are the key properties of N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 167872124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).