4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine

C16H31N3O — CID 103012413

IUPAC4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1cnn(C)c1)C(C)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-11-17-15(16(4,7-2)20-8-3)10-9-14-12-18-19(5)13-14/h12-13,15,17H,6-11H2,1-5H3
InChIKeyHLBUZAQTMRNMLA-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.93
Rot. Bonds10

About 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine

4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine (PubChem CID 103012413) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
PubChem CID103012413
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1cnn(C)c1)C(C)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-11-17-15(16(4,7-2)20-8-3)10-9-14-12-18-19(5)13-14/h12-13,15,17H,6-11H2,1-5H3
InChIKeyHLBUZAQTMRNMLA-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
[4-ethoxy-4-ethyl-1-(1-methylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 103027107
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 103169839

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine?
The IUPAC name of 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine (CID 103012413) is 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine?
The canonical SMILES for 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine is CCCNC(CCc1cnn(C)c1)C(C)(CC)OCC.
What is the InChIKey of 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine?
The InChIKey is HLBUZAQTMRNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-11-17-15(16(4,7-2)20-8-3)10-9-14-12-18-19(5)13-14/h12-13,15,17H,6-11H2,1-5H3.
What are the key properties of 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine?
4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 103012413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).