1-(3-methylphenyl)-3-propylcyclobutan-1-amine

C14H21N — CID 65013464

IUPAC1-(3-methylphenyl)-3-propylcyclobutan-1-amine
SMILESCCCC1CC(N)(c2cccc(C)c2)C1
InChIInChI=1S/C14H21N/c1-3-5-12-9-14(15,10-12)13-7-4-6-11(2)8-13/h4,6-8,12H,3,5,9-10,15H2,1-2H3
InChIKeyGQAYICKYYFYMIV-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-methylphenyl)-3-propylcyclobutan-1-amine

1-(3-methylphenyl)-3-propylcyclobutan-1-amine (PubChem CID 65013464) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-propylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-propylcyclobutan-1-amine
PubChem CID65013464
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(3-methylphenyl)-3-propylcyclobutan-1-amine
SMILESCCCC1CC(N)(c2cccc(C)c2)C1
InChIInChI=1S/C14H21N/c1-3-5-12-9-14(15,10-12)13-7-4-6-11(2)8-13/h4,6-8,12H,3,5,9-10,15H2,1-2H3
InChIKeyGQAYICKYYFYMIV-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-propylcyclobutan-1-amine?
The IUPAC name of 1-(3-methylphenyl)-3-propylcyclobutan-1-amine (CID 65013464) is 1-(3-methylphenyl)-3-propylcyclobutan-1-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-propylcyclobutan-1-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-propylcyclobutan-1-amine is CCCC1CC(N)(c2cccc(C)c2)C1.
What is the InChIKey of 1-(3-methylphenyl)-3-propylcyclobutan-1-amine?
The InChIKey is GQAYICKYYFYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-5-12-9-14(15,10-12)13-7-4-6-11(2)8-13/h4,6-8,12H,3,5,9-10,15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-propylcyclobutan-1-amine?
1-(3-methylphenyl)-3-propylcyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-propylcyclobutan-1-amine is sourced from PubChem (CID 65013464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).