N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine

C15H27N3O — CID 103030499

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCNC(CCc1ccnn1C)CCC1CCCCO1
InChIInChI=1S/C15H27N3O/c1-16-13(6-8-14-10-11-17-18(14)2)7-9-15-5-3-4-12-19-15/h10-11,13,15-16H,3-9,12H2,1-2H3
InChIKeyIOOQMCRQECDNDI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds7

About N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine

N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine (PubChem CID 103030499) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
PubChem CID103030499
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCNC(CCc1ccnn1C)CCC1CCCCO1
InChIInChI=1S/C15H27N3O/c1-16-13(6-8-14-10-11-17-18(14)2)7-9-15-5-3-4-12-19-15/h10-11,13,15-16H,3-9,12H2,1-2H3
InChIKeyIOOQMCRQECDNDI-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine (CID 103030499) is N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine is CNC(CCc1ccnn1C)CCC1CCCCO1.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
The InChIKey is IOOQMCRQECDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-16-13(6-8-14-10-11-17-18(14)2)7-9-15-5-3-4-12-19-15/h10-11,13,15-16H,3-9,12H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine?
N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-amine is sourced from PubChem (CID 103030499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).