2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine

C15H21N — CID 65009335

IUPAC2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine
SMILESCc1ccc(C2(N)CC3(CCC3)C2)cc1C
InChIInChI=1S/C15H21N/c1-11-4-5-13(8-12(11)2)15(16)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyFOGDKMNYMORXRP-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.42
Rot. Bonds1

About 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine

2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine (PubChem CID 65009335) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine
PubChem CID65009335
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine
SMILESCc1ccc(C2(N)CC3(CCC3)C2)cc1C
InChIInChI=1S/C15H21N/c1-11-4-5-13(8-12(11)2)15(16)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyFOGDKMNYMORXRP-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine (CID 65009335) is 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine is Cc1ccc(C2(N)CC3(CCC3)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine?
The InChIKey is FOGDKMNYMORXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-4-5-13(8-12(11)2)15(16)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine?
2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine is sourced from PubChem (CID 65009335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).