(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine

C15H27N3O — CID 124736967

IUPAC(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
SMILESCOCC1(CN[C@@H](Cn2cccn2)C(C)C)CCC1
InChIInChI=1S/C15H27N3O/c1-13(2)14(10-18-9-5-8-17-18)16-11-15(12-19-3)6-4-7-15/h5,8-9,13-14,16H,4,6-7,10-12H2,1-3H3/t14-/m0/s1
InChIKeyPGACOCZDTVSMLR-AWEZNQCLSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds8

About (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine

(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine (PubChem CID 124736967) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
PubChem CID124736967
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
SMILESCOCC1(CN[C@@H](Cn2cccn2)C(C)C)CCC1
InChIInChI=1S/C15H27N3O/c1-13(2)14(10-18-9-5-8-17-18)16-11-15(12-19-3)6-4-7-15/h5,8-9,13-14,16H,4,6-7,10-12H2,1-3H3/t14-/m0/s1
InChIKeyPGACOCZDTVSMLR-AWEZNQCLSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine (CID 124736967) is (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine is COCC1(CN[C@@H](Cn2cccn2)C(C)C)CCC1.
What is the InChIKey of (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is PGACOCZDTVSMLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)14(10-18-9-5-8-17-18)16-11-15(12-19-3)6-4-7-15/h5,8-9,13-14,16H,4,6-7,10-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine?
(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 124736967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).