[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine

C14H21N — CID 131460343

IUPAC[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCc1cc(C)cc(C2(CN)CC2(C)C)c1
InChIInChI=1S/C14H21N/c1-10-5-11(2)7-12(6-10)14(9-15)8-13(14,3)4/h5-7H,8-9,15H2,1-4H3
InChIKeyWWSHEWFFJXHKDS-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds2

About [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine

[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 131460343) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID131460343
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCc1cc(C)cc(C2(CN)CC2(C)C)c1
InChIInChI=1S/C14H21N/c1-10-5-11(2)7-12(6-10)14(9-15)8-13(14,3)4/h5-7H,8-9,15H2,1-4H3
InChIKeyWWSHEWFFJXHKDS-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 131460343) is [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine is Cc1cc(C)cc(C2(CN)CC2(C)C)c1.
What is the InChIKey of [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is WWSHEWFFJXHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-5-11(2)7-12(6-10)14(9-15)8-13(14,3)4/h5-7H,8-9,15H2,1-4H3.
What are the key properties of [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine?
[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 131460343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).