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1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine

C20H33N — CID 107177921

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(NC)C2CCCC2(C)C)cc1
InChIInChI=1S/C20H33N/c1-7-19(2,3)16-12-10-15(11-13-16)18(21-6)17-9-8-14-20(17,4)5/h10-13,17-18,21H,7-9,14H2,1-6H3
InChIKeyFRXWCTRLBSAGAD-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.46
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine (PubChem CID 107177921) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
PubChem CID107177921
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(NC)C2CCCC2(C)C)cc1
InChIInChI=1S/C20H33N/c1-7-19(2,3)16-12-10-15(11-13-16)18(21-6)17-9-8-14-20(17,4)5/h10-13,17-18,21H,7-9,14H2,1-6H3
InChIKeyFRXWCTRLBSAGAD-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine (CID 107177921) is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine is CCC(C)(C)c1ccc(C(NC)C2CCCC2(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is FRXWCTRLBSAGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-7-19(2,3)16-12-10-15(11-13-16)18(21-6)17-9-8-14-20(17,4)5/h10-13,17-18,21H,7-9,14H2,1-6H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 107177921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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