N,N-dimethyl-1-phenylprop-2-yn-1-amine

C11H11N — CID 101389148

IUPACN,N-dimethyl-1-phenylprop-2-yn-1-amine
SMILES[C+]#C[C-](c1ccccc1)N(C)C
InChIInChI=1S/C11H11N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,2-3H3
InChIKeyYOTMOCZYHUKERM-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.72
Rot. Bonds2

About N,N-dimethyl-1-phenylprop-2-yn-1-amine

N,N-dimethyl-1-phenylprop-2-yn-1-amine (PubChem CID 101389148) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylprop-2-yn-1-amine
PubChem CID101389148
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN,N-dimethyl-1-phenylprop-2-yn-1-amine
SMILES[C+]#C[C-](c1ccccc1)N(C)C
InChIInChI=1S/C11H11N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,2-3H3
InChIKeyYOTMOCZYHUKERM-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N,N-dimethyl-1-phenylmethanamine
CID 134900800
1-phenylethylbenzene;tungsten
CID 59887393
magnesium;propan-2-ylbenzene;chloride
CID 14168514
1-phenylethanamine
CID 59898296
tetrakis(diphenylmethylbenzene);palladium
CID 57423444
lithium N-ethynyl-N-methylaniline
CID 12592605
benzene;1,2-xylene
CID 161464493
dilithium;diphenylmethylbenzene;hydride
CID 173115041
N,N-dimethylaniline
CID 70392672
lithium N,N,N',N'-tetramethyl-1-phenylsilylmethanediamine
CID 173472565
sodium;1-phenylethylbenzene;sulfuric acid
CID 175416175
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylprop-2-yn-1-amine?
The IUPAC name of N,N-dimethyl-1-phenylprop-2-yn-1-amine (CID 101389148) is N,N-dimethyl-1-phenylprop-2-yn-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylprop-2-yn-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenylprop-2-yn-1-amine is [C+]#C[C-](c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenylprop-2-yn-1-amine?
The InChIKey is YOTMOCZYHUKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,2-3H3.
What are the key properties of N,N-dimethyl-1-phenylprop-2-yn-1-amine?
N,N-dimethyl-1-phenylprop-2-yn-1-amine has a molecular weight of 157.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylprop-2-yn-1-amine is sourced from PubChem (CID 101389148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).