N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C16H29N3O — CID 103030299

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29N3O/c1-6-17-15(8-7-14-9-18-19(5)10-14)16-11(2)12(3)20-13(16)4/h9-13,15-17H,6-8H2,1-5H3
InChIKeyZXTKOURAYZUYIX-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.39
Rot. Bonds6

About N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 103030299) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID103030299
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29N3O/c1-6-17-15(8-7-14-9-18-19(5)10-14)16-11(2)12(3)20-13(16)4/h9-13,15-17H,6-8H2,1-5H3
InChIKeyZXTKOURAYZUYIX-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011971
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030028
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 103030299) is N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is ZXTKOURAYZUYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-17-15(8-7-14-9-18-19(5)10-14)16-11(2)12(3)20-13(16)4/h9-13,15-17H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.39, 6 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)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).