2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

C15H27N3O — CID 64852561

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCc2ccnn2C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)10-19-14-8-13(15(14,3)4)16-9-12-6-7-17-18(12)5/h6-7,11,13-14,16H,8-10H2,1-5H3
InChIKeyCLVYAJUHIIGRAG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.35
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 64852561) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID64852561
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCc2ccnn2C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)10-19-14-8-13(15(14,3)4)16-9-12-6-7-17-18(12)5/h6-7,11,13-14,16H,8-10H2,1-5H3
InChIKeyCLVYAJUHIIGRAG-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
CID 115905408
2,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106391891
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852361
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 103743269
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
CID 154734066

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (CID 64852561) is 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is CC(C)COC1CC(NCc2ccnn2C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is CLVYAJUHIIGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)10-19-14-8-13(15(14,3)4)16-9-12-6-7-17-18(12)5/h6-7,11,13-14,16H,8-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64852561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).