2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine

C12H25N — CID 171743880

IUPAC2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine
SMILESCC(C)(C)CNC1CC1C(C)(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)8-13-10-7-9(10)12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyVFXKCLFZPLNSHP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds2

About 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine

2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine (PubChem CID 171743880) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine
PubChem CID171743880
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine
SMILESCC(C)(C)CNC1CC1C(C)(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)8-13-10-7-9(10)12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyVFXKCLFZPLNSHP-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine (CID 171743880) is 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine is CC(C)(C)CNC1CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine?
The InChIKey is VFXKCLFZPLNSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2,3)8-13-10-7-9(10)12(4,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine?
2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-dimethylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 171743880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).