1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine

C17H25N — CID 63420487

IUPAC1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C17H25N/c1-12-5-7-14(8-6-12)18-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyNTAXQYLPIUYLPK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.62
Rot. Bonds2

About 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63420487) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63420487
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C17H25N/c1-12-5-7-14(8-6-12)18-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,15,18H,9-11H2,1-4H3
InChIKeyNTAXQYLPIUYLPK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 63420487) is 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1ccc(NC2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is NTAXQYLPIUYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-5-7-14(8-6-12)18-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,15,18H,9-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63420487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).