2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine

C14H25N3O — CID 75446646

IUPAC2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)CC1CC(NCc2cnn(C)c2)CCO1
InChIInChI=1S/C14H25N3O/c1-11(2)6-14-7-13(4-5-18-14)15-8-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3
InChIKeyFYNNKEDSFYYFFL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine

2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine (PubChem CID 75446646) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
PubChem CID75446646
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)CC1CC(NCc2cnn(C)c2)CCO1
InChIInChI=1S/C14H25N3O/c1-11(2)6-14-7-13(4-5-18-14)15-8-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3
InChIKeyFYNNKEDSFYYFFL-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine (CID 75446646) is 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine is CC(C)CC1CC(NCc2cnn(C)c2)CCO1.
What is the InChIKey of 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The InChIKey is FYNNKEDSFYYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)6-14-7-13(4-5-18-14)15-8-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 75446646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).