3-(3,5-dimethylphenyl)cyclohexan-1-amine

C14H21N — CID 64505534

IUPAC3-(3,5-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)cc(C2CCCC(N)C2)c1
InChIInChI=1S/C14H21N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h6-8,12,14H,3-5,9,15H2,1-2H3
InChIKeyDMRYFYOLNIIKFP-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.29
Rot. Bonds1

About 3-(3,5-dimethylphenyl)cyclohexan-1-amine

3-(3,5-dimethylphenyl)cyclohexan-1-amine (PubChem CID 64505534) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)cyclohexan-1-amine
PubChem CID64505534
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(3,5-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)cc(C2CCCC(N)C2)c1
InChIInChI=1S/C14H21N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h6-8,12,14H,3-5,9,15H2,1-2H3
InChIKeyDMRYFYOLNIIKFP-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)cyclohexan-1-amine (CID 64505534) is 3-(3,5-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)cyclohexan-1-amine is Cc1cc(C)cc(C2CCCC(N)C2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is DMRYFYOLNIIKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h6-8,12,14H,3-5,9,15H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)cyclohexan-1-amine?
3-(3,5-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 64505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).