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

C15H29N3O — CID 116715598

IUPAC3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(OC)C(Cc1ccn(C(CC)CC)n1)NC
InChIInChI=1S/C15H29N3O/c1-6-13(7-2)18-10-9-12(17-18)11-14(16-4)15(8-3)19-5/h9-10,13-16H,6-8,11H2,1-5H3
InChIKeyBNUOVKYXMCERIH-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.80
Rot. Bonds9

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

3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 116715598) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
PubChem CID116715598
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(OC)C(Cc1ccn(C(CC)CC)n1)NC
InChIInChI=1S/C15H29N3O/c1-6-13(7-2)18-10-9-12(17-18)11-14(16-4)15(8-3)19-5/h9-10,13-16H,6-8,11H2,1-5H3
InChIKeyBNUOVKYXMCERIH-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
[3-methoxy-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105270657
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116757813
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (CID 116715598) is 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is CCC(OC)C(Cc1ccn(C(CC)CC)n1)NC.
What is the InChIKey of 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is BNUOVKYXMCERIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-13(7-2)18-10-9-12(17-18)11-14(16-4)15(8-3)19-5/h9-10,13-16H,6-8,11H2,1-5H3.
What are the key properties of 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 116715598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).