2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine

C16H29N3O — CID 115905408

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCn2cccn2)C1(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-5-9-19-10-6-8-18-19/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3
InChIKeyUEODMXFCEMXDGF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.70
Rot. Bonds8

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine (PubChem CID 115905408) 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-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
PubChem CID115905408
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCn2cccn2)C1(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-5-9-19-10-6-8-18-19/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3
InChIKeyUEODMXFCEMXDGF-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 99827518
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
N-{[1-(methoxymethyl)cyclobutyl]methyl}-4-(1H-pyrazol-1-yl)butanamide
CID 131899264
N-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)-3-pyrazol-1-ylpropanamide
CID 136531778
1-(1-Methoxy-4-methylpentan-3-yl)pyrazole
CID 58125074
1-[[3-(2-Methylpropyl)oxetan-3-yl]methyl]pyrazole
CID 168111307
3-(Methoxymethyl)-4-pyrazol-1-ylpiperidine
CID 173101223
1-(2-Oxabicyclo[2.1.1]hexan-4-ylmethyl)pyrazole
CID 176095059
4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine
CID 43749197
N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43749387
1-(4-Methylpentan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60900088
2-[(2-Hydroxy-3-pyrazol-1-ylpropyl)amino]-4-methylpentan-1-ol
CID 61245986

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine (CID 115905408) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine is CC(C)COC1CC(NCCCn2cccn2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is UEODMXFCEMXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-5-9-19-10-6-8-18-19/h6,8,10,13-15,17H,5,7,9,11-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.70, 8 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-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 115905408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).