3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine

C16H31N3O — CID 116757813

IUPAC3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(CC)n1ccc(CC(NC)C(C)(CC)OC)n1
InChIInChI=1S/C16H31N3O/c1-7-14(8-2)19-11-10-13(18-19)12-15(17-5)16(4,9-3)20-6/h10-11,14-15,17H,7-9,12H2,1-6H3
InChIKeyGGEHCRFKGOLXIU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.19
Rot. Bonds9

About 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine

3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 116757813) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
PubChem CID116757813
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(CC)n1ccc(CC(NC)C(C)(CC)OC)n1
InChIInChI=1S/C16H31N3O/c1-7-14(8-2)19-11-10-13(18-19)12-15(17-5)16(4,9-3)20-6/h10-11,14-15,17H,7-9,12H2,1-6H3
InChIKeyGGEHCRFKGOLXIU-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79198374
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116757473
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (CID 116757813) is 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is CCC(CC)n1ccc(CC(NC)C(C)(CC)OC)n1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is GGEHCRFKGOLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-14(8-2)19-11-10-13(18-19)12-15(17-5)16(4,9-3)20-6/h10-11,14-15,17H,7-9,12H2,1-6H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 116757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).