N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

C13H17N — CID 5195

IUPACN-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChIKeyMEZLKOACVSPNER-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (PubChem CID 5195) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
PubChem CID5195
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChIKeyMEZLKOACVSPNER-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
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-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (CID 5195) is N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)C(C)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is MEZLKOACVSPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3.
What are the key properties of N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 5195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).