N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine

C16H31N3O — CID 116724637

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(OC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-8-12-10-13(19(6)18-12)11-14(17-9-2)15(20-7)16(3,4)5/h10,14-15,17H,8-9,11H2,1-7H3
InChIKeyOQBCEDZQKNAKMM-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724637) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724637
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(OC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-8-12-10-13(19(6)18-12)11-14(17-9-2)15(20-7)16(3,4)5/h10,14-15,17H,8-9,11H2,1-7H3
InChIKeyOQBCEDZQKNAKMM-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724637) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine is CCNC(Cc1cc(CC)nn1C)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is OQBCEDZQKNAKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-8-12-10-13(19(6)18-12)11-14(17-9-2)15(20-7)16(3,4)5/h10,14-15,17H,8-9,11H2,1-7H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).