3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine

C15H21N — CID 3049692

IUPAC3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCC(C)N(CC#Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21N/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3
InChIKeyZMJKSSYMVWEDMA-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.16
Rot. Bonds3

About 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine

3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine (PubChem CID 3049692) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
PubChem CID3049692
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCC(C)N(CC#Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21N/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3
InChIKeyZMJKSSYMVWEDMA-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.16
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 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine (CID 3049692) is 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine is CC(C)N(CC#Cc1ccccc1)C(C)C.
What is the InChIKey of 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The InChIKey is ZMJKSSYMVWEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3.
What are the key properties of 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 3049692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).