N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine

C17H25N — CID 90210200

IUPACN-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
SMILESC#C[C@@H](NC(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N/c1-8-15(18-17(5,6)7)13-9-11-14(12-10-13)16(2,3)4/h1,9-12,15,18H,2-7H3/t15-/m1/s1
InChIKeyGLJAIJPIZGCPGK-OAHLLOKOSA-N
MW243.39 g/mol
LogP4.05
Rot. Bonds2

About N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine

N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine (PubChem CID 90210200) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
PubChem CID90210200
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
SMILESC#C[C@@H](NC(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N/c1-8-15(18-17(5,6)7)13-9-11-14(12-10-13)16(2,3)4/h1,9-12,15,18H,2-7H3/t15-/m1/s1
InChIKeyGLJAIJPIZGCPGK-OAHLLOKOSA-N
XLogP4.05
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 ≤ 54.05
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 N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine (CID 90210200) is N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine is C#C[C@@H](NC(C)(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine?
The InChIKey is GLJAIJPIZGCPGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N/c1-8-15(18-17(5,6)7)13-9-11-14(12-10-13)16(2,3)4/h1,9-12,15,18H,2-7H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine?
N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine is sourced from PubChem (CID 90210200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).