1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C17H31N3O — CID 103559441

IUPAC1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CC2(OC)CCC2)NC)n1
InChIInChI=1S/C17H31N3O/c1-5-16(6-2)20-11-8-14(19-20)12-15(18-3)13-17(21-4)9-7-10-17/h8,11,15-16,18H,5-7,9-10,12-13H2,1-4H3
InChIKeyJITYUUXSRPMDJL-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.33
Rot. Bonds9

About 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 103559441) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID103559441
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CC2(OC)CCC2)NC)n1
InChIInChI=1S/C17H31N3O/c1-5-16(6-2)20-11-8-14(19-20)12-15(18-3)13-17(21-4)9-7-10-17/h8,11,15-16,18H,5-7,9-10,12-13H2,1-4H3
InChIKeyJITYUUXSRPMDJL-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559525
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991851
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65139202
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 103559441) is 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(CC2(OC)CCC2)NC)n1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is JITYUUXSRPMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-16(6-2)20-11-8-14(19-20)12-15(18-3)13-17(21-4)9-7-10-17/h8,11,15-16,18H,5-7,9-10,12-13H2,1-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 103559441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).