3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine

C13H23N3O — CID 113347999

IUPAC3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCC(C)n1cc(CNC2(C)CCCOC2)cn1
InChIInChI=1S/C13H23N3O/c1-11(2)16-9-12(8-15-16)7-14-13(3)5-4-6-17-10-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyKATOQOWZPSVRPX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds4

About 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine

3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine (PubChem CID 113347999) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
PubChem CID113347999
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCC(C)n1cc(CNC2(C)CCCOC2)cn1
InChIInChI=1S/C13H23N3O/c1-11(2)16-9-12(8-15-16)7-14-13(3)5-4-6-17-10-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyKATOQOWZPSVRPX-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 115624288
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 61365369
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
CID 114113993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine (CID 113347999) is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine is CC(C)n1cc(CNC2(C)CCCOC2)cn1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine?
The InChIKey is KATOQOWZPSVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16-9-12(8-15-16)7-14-13(3)5-4-6-17-10-13/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine?
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 113347999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).