N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine

C16H25N — CID 81017220

IUPACN-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(C2CCC2CNC(C)C)c1
InChIInChI=1S/C16H25N/c1-11(2)17-10-14-7-8-15(14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3
InChIKeyRDCWQFLKWGXWBX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds4

About N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017220) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017220
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(C)c(C2CCC2CNC(C)C)c1
InChIInChI=1S/C16H25N/c1-11(2)17-10-14-7-8-15(14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3
InChIKeyRDCWQFLKWGXWBX-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine (CID 81017220) is N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine is Cc1ccc(C)c(C2CCC2CNC(C)C)c1.
What is the InChIKey of N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is RDCWQFLKWGXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)17-10-14-7-8-15(14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3.
What are the key properties of N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).