N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

C20H33N — CID 63511073

IUPACN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(C2(CNC(C)(C)C)CCCCCC2)c1
InChIInChI=1S/C20H33N/c1-16-12-17(2)14-18(13-16)20(15-21-19(3,4)5)10-8-6-7-9-11-20/h12-14,21H,6-11,15H2,1-5H3
InChIKeyPJXHLBIUASPQMG-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.28
Rot. Bonds3

About N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 63511073) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID63511073
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(C2(CNC(C)(C)C)CCCCCC2)c1
InChIInChI=1S/C20H33N/c1-16-12-17(2)14-18(13-16)20(15-21-19(3,4)5)10-8-6-7-9-11-20/h12-14,21H,6-11,15H2,1-5H3
InChIKeyPJXHLBIUASPQMG-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 63511073) is N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)cc(C2(CNC(C)(C)C)CCCCCC2)c1.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PJXHLBIUASPQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16-12-17(2)14-18(13-16)20(15-21-19(3,4)5)10-8-6-7-9-11-20/h12-14,21H,6-11,15H2,1-5H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63511073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).