N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine

C12H21N3O — CID 110209293

IUPACN-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
SMILESCC(CCn1cccn1)NC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(3-8-15-7-2-6-13-15)14-12-4-9-16-10-5-12/h2,6-7,11-12,14H,3-5,8-10H2,1H3
InChIKeyRCPMLSDWDVRXNN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds5

About N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine

N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine (PubChem CID 110209293) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
PubChem CID110209293
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
SMILESCC(CCn1cccn1)NC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(3-8-15-7-2-6-13-15)14-12-4-9-16-10-5-12/h2,6-7,11-12,14H,3-5,8-10H2,1H3
InChIKeyRCPMLSDWDVRXNN-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine (CID 110209293) is N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine is CC(CCn1cccn1)NC1CCOCC1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine?
The InChIKey is RCPMLSDWDVRXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(3-8-15-7-2-6-13-15)14-12-4-9-16-10-5-12/h2,6-7,11-12,14H,3-5,8-10H2,1H3.
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine?
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine is sourced from PubChem (CID 110209293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).