N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine

C12H21N3O — CID 106469390

IUPACN-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-13-12-4-5-16-9-11(12)6-10-7-14-15(2)8-10/h7-8,11-13H,3-6,9H2,1-2H3
InChIKeyJHWFUGSFJYFPJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds4

About N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine

N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine (PubChem CID 106469390) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
PubChem CID106469390
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-13-12-4-5-16-9-11(12)6-10-7-14-15(2)8-10/h7-8,11-13H,3-6,9H2,1-2H3
InChIKeyJHWFUGSFJYFPJR-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 106469378
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-[[4-(ethylamino)oxolan-3-yl]methyl]-1-methylpyrazol-4-amine
CID 103568788
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469313
3-[(5-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine (CID 106469390) is N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine is CCNC1CCOCC1Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
The InChIKey is JHWFUGSFJYFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-12-4-5-16-9-11(12)6-10-7-14-15(2)8-10/h7-8,11-13H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine?
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106469390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).