2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine

C12H23N — CID 89171424

IUPAC2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine
SMILESCC1CC(C(C)C)(C2CCC2)C1N
InChIInChI=1S/C12H23N/c1-8(2)12(10-5-4-6-10)7-9(3)11(12)13/h8-11H,4-7,13H2,1-3H3
InChIKeyDPEUSCFMZJBTGV-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds2

About 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine

2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine (PubChem CID 89171424) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine
PubChem CID89171424
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine
SMILESCC1CC(C(C)C)(C2CCC2)C1N
InChIInChI=1S/C12H23N/c1-8(2)12(10-5-4-6-10)7-9(3)11(12)13/h8-11H,4-7,13H2,1-3H3
InChIKeyDPEUSCFMZJBTGV-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine (CID 89171424) is 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine is CC1CC(C(C)C)(C2CCC2)C1N.
What is the InChIKey of 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine?
The InChIKey is DPEUSCFMZJBTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)12(10-5-4-6-10)7-9(3)11(12)13/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine?
2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 89171424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).