2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine

C16H23N — CID 146212797

IUPAC2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine
SMILESC#C[C@@H](NC(C)(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N/c1-7-15(17-16(4,5)6)14-10-8-13(9-11-14)12(2)3/h1,8-12,15,17H,2-6H3/t15-/m1/s1
InChIKeyPOXLDZKFMMQNDI-OAHLLOKOSA-N
MW229.37 g/mol
LogP3.87
Rot. Bonds3

About 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine

2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine (PubChem CID 146212797) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine
PubChem CID146212797
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine
SMILESC#C[C@@H](NC(C)(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N/c1-7-15(17-16(4,5)6)14-10-8-13(9-11-14)12(2)3/h1,8-12,15,17H,2-6H3/t15-/m1/s1
InChIKeyPOXLDZKFMMQNDI-OAHLLOKOSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine (CID 146212797) is 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine is C#C[C@@H](NC(C)(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine?
The InChIKey is POXLDZKFMMQNDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N/c1-7-15(17-16(4,5)6)14-10-8-13(9-11-14)12(2)3/h1,8-12,15,17H,2-6H3/t15-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine?
2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine is sourced from PubChem (CID 146212797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).