6-methyl-2-(4-methylphenyl)heptan-2-amine

C15H25N — CID 83157399

IUPAC6-methyl-2-(4-methylphenyl)heptan-2-amine
SMILESCc1ccc(C(C)(N)CCCC(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeyPNPFSURHZKKNEU-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.00
Rot. Bonds5

About 6-methyl-2-(4-methylphenyl)heptan-2-amine

6-methyl-2-(4-methylphenyl)heptan-2-amine (PubChem CID 83157399) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)heptan-2-amine
PubChem CID83157399
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name6-methyl-2-(4-methylphenyl)heptan-2-amine
SMILESCc1ccc(C(C)(N)CCCC(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeyPNPFSURHZKKNEU-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)heptan-2-amine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)heptan-2-amine (CID 83157399) is 6-methyl-2-(4-methylphenyl)heptan-2-amine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)heptan-2-amine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)heptan-2-amine is Cc1ccc(C(C)(N)CCCC(C)C)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)heptan-2-amine?
The InChIKey is PNPFSURHZKKNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11,16H2,1-4H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)heptan-2-amine?
6-methyl-2-(4-methylphenyl)heptan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)heptan-2-amine is sourced from PubChem (CID 83157399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).