2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine

C15H32N2 — CID 80998310

IUPAC2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
SMILESCN(CC(C)(C)C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-14(2,3)11-17(7)13-9-8-12(13)10-16-15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyHBCHRJCEYJXTHS-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.13
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine (PubChem CID 80998310) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
PubChem CID80998310
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
SMILESCN(CC(C)(C)C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-14(2,3)11-17(7)13-9-8-12(13)10-16-15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyHBCHRJCEYJXTHS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine (CID 80998310) is 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine is CN(CC(C)(C)C)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The InChIKey is HBCHRJCEYJXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2,3)11-17(7)13-9-8-12(13)10-16-15(4,5)6/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine has a molecular weight of 240.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80998310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).