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

C15H29N3O — CID 79198132

IUPAC3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(CC)n1ccc(CC(NC)C(C)(C)OC)n1
InChIInChI=1S/C15H29N3O/c1-7-13(8-2)18-10-9-12(17-18)11-14(16-5)15(3,4)19-6/h9-10,13-14,16H,7-8,11H2,1-6H3
InChIKeyZYGPPUUCMRTMTK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.80
Rot. Bonds8

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

3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (PubChem CID 79198132) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
PubChem CID79198132
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(CC)n1ccc(CC(NC)C(C)(C)OC)n1
InChIInChI=1S/C15H29N3O/c1-7-13(8-2)18-10-9-12(17-18)11-14(16-5)15(3,4)19-6/h9-10,13-14,16H,7-8,11H2,1-6H3
InChIKeyZYGPPUUCMRTMTK-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116757813
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79198374
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
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
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (CID 79198132) is 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine is CCC(CC)n1ccc(CC(NC)C(C)(C)OC)n1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is ZYGPPUUCMRTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-13(8-2)18-10-9-12(17-18)11-14(16-5)15(3,4)19-6/h9-10,13-14,16H,7-8,11H2,1-6H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.80, 8 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)butan-2-amine is sourced from PubChem (CID 79198132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).