(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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Related Compounds

N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[1-(methoxymethyl)cyclopentyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131949420
1-(2-ethylimidazol-1-yl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 122565585
1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 131916675
(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine
CID 125445052
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
CID 114270847
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide
CID 122558085
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
CID 114270882
(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 100620691

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).