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

C16H29N3O — CID 104629208

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCc2ccn(C)n2)C1(C)C
InChIInChI=1S/C16H29N3O/c1-12(2)11-20-15-10-14(16(15,3)4)17-8-6-13-7-9-19(5)18-13/h7,9,12,14-15,17H,6,8,10-11H2,1-5H3
InChIKeyJZFNBPYVZULGFB-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.39
Rot. Bonds7

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

2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 104629208) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID104629208
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCc2ccn(C)n2)C1(C)C
InChIInChI=1S/C16H29N3O/c1-12(2)11-20-15-10-14(16(15,3)4)17-8-6-13-7-9-19(5)18-13/h7,9,12,14-15,17H,6,8,10-11H2,1-5H3
InChIKeyJZFNBPYVZULGFB-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 64852561
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 113434855
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
CID 64723580
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 106104437
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 104629202
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine (CID 104629208) is 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine is CC(C)COC1CC(NCCc2ccn(C)n2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JZFNBPYVZULGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)11-20-15-10-14(16(15,3)4)17-8-6-13-7-9-19(5)18-13/h7,9,12,14-15,17H,6,8,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.39, 7 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-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104629208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).