8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C18H25N — CID 62802507

IUPAC8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccc(C2(N)CC3CC2C2CCCC32)c(C)c1
InChIInChI=1S/C18H25N/c1-11-6-7-16(12(2)8-11)18(19)10-13-9-17(18)15-5-3-4-14(13)15/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3
InChIKeyGMYCSBNKMHGMGS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.91
Rot. Bonds1

About 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 62802507) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID62802507
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccc(C2(N)CC3CC2C2CCCC32)c(C)c1
InChIInChI=1S/C18H25N/c1-11-6-7-16(12(2)8-11)18(19)10-13-9-17(18)15-5-3-4-14(13)15/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3
InChIKeyGMYCSBNKMHGMGS-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 62802507) is 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is Cc1ccc(C2(N)CC3CC2C2CCCC32)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is GMYCSBNKMHGMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-11-6-7-16(12(2)8-11)18(19)10-13-9-17(18)15-5-3-4-14(13)15/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3.
What are the key properties of 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 255.40 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 62802507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).