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

C16H29N3O — CID 106469287

IUPACN-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H29N3O/c1-4-15(5-2)19-9-7-14(18-19)11-13-12-20-10-8-16(13)17-6-3/h7,9,13,15-17H,4-6,8,10-12H2,1-3H3
InChIKeyJJHLLOLAULIREX-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.80
Rot. Bonds7

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

N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine (PubChem CID 106469287) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
PubChem CID106469287
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H29N3O/c1-4-15(5-2)19-9-7-14(18-19)11-13-12-20-10-8-16(13)17-6-3/h7,9,13,15-17H,4-6,8,10-12H2,1-3H3
InChIKeyJJHLLOLAULIREX-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-one
CID 106468639
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 106469378
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole
CID 64907749
2-[[(3R,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine (CID 106469287) is N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine is CCNC1CCOCC1Cc1ccn(C(CC)CC)n1.
What is the InChIKey of N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine?
The InChIKey is JJHLLOLAULIREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-15(5-2)19-9-7-14(18-19)11-13-12-20-10-8-16(13)17-6-3/h7,9,13,15-17H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine?
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106469287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).