1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C17H27ClN2 — CID 105415794

IUPAC1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-6-16(14-7-9-15(18)10-8-14)19-13-17(20(2)3)11-5-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyZDYPUTMMLTZECK-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds7

About 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415794) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415794
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-6-16(14-7-9-15(18)10-8-14)19-13-17(20(2)3)11-5-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyZDYPUTMMLTZECK-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415794) is 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CCCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is ZDYPUTMMLTZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-6-16(14-7-9-15(18)10-8-14)19-13-17(20(2)3)11-5-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).