3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine

C12H25N — CID 123318765

IUPAC3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine
SMILESCC1C(N)C(C)(C)C1(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-8-9(13)11(5,6)12(8,7)10(2,3)4/h8-9H,13H2,1-7H3
InChIKeyNCPBZQZWKXJJAS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.04
Rot. Bonds

About 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine

3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine (PubChem CID 123318765) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine
PubChem CID123318765
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine
SMILESCC1C(N)C(C)(C)C1(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-8-9(13)11(5,6)12(8,7)10(2,3)4/h8-9H,13H2,1-7H3
InChIKeyNCPBZQZWKXJJAS-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine?
The IUPAC name of 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine (CID 123318765) is 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine.
What is the SMILES notation for 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine?
The canonical SMILES for 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine is CC1C(N)C(C)(C)C1(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine?
The InChIKey is NCPBZQZWKXJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-8-9(13)11(5,6)12(8,7)10(2,3)4/h8-9H,13H2,1-7H3.
What are the key properties of 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine?
3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,3,4-tetramethylcyclobutan-1-amine is sourced from PubChem (CID 123318765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).