N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C14H21N3O — CID 79903420

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cnc(CNC2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C14H21N3O/c1-11-8-16-13(9-15-11)10-17-12-3-6-18-14(7-12)4-2-5-14/h8-9,12,17H,2-7,10H2,1H3
InChIKeyYFKRBZWXKLATDL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.98
Rot. Bonds3

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

N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903420) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903420
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cnc(CNC2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C14H21N3O/c1-11-8-16-13(9-15-11)10-17-12-3-6-18-14(7-12)4-2-5-14/h8-9,12,17H,2-7,10H2,1H3
InChIKeyYFKRBZWXKLATDL-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 154745659
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895206
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(2-methylpyrimidin-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895637
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79903420) is N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is Cc1cnc(CNC2CCOC3(CCC3)C2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is YFKRBZWXKLATDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-8-16-13(9-15-11)10-17-12-3-6-18-14(7-12)4-2-5-14/h8-9,12,17H,2-7,10H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 247.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).