2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine

C12H21N3O — CID 106209442

IUPAC2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1cn[nH]c1
InChIInChI=1S/C12H21N3O/c1-9(10-7-13-14-8-10)15-11-4-5-16-12(2,3)6-11/h7-9,11,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyIXTHNOONDCFSNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.02
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine

2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine (PubChem CID 106209442) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
PubChem CID106209442
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1cn[nH]c1
InChIInChI=1S/C12H21N3O/c1-9(10-7-13-14-8-10)15-11-4-5-16-12(2,3)6-11/h7-9,11,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyIXTHNOONDCFSNL-UHFFFAOYSA-N
XLogP2.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
1-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-4-amine
CID 106209325

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine (CID 106209442) is 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine is CC(NC1CCOC(C)(C)C1)c1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is IXTHNOONDCFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(10-7-13-14-8-10)15-11-4-5-16-12(2,3)6-11/h7-9,11,15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 106209442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).