3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine

C21H19N3 — CID 23911127

IUPAC3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H19N3/c1-2-9-19(10-3-1)11-8-16-24(17-20-12-4-6-14-22-20)18-21-13-5-7-15-23-21/h1-7,9-10,12-15H,16-18H2
InChIKeySFFMXPOWXIONMH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.53
Rot. Bonds5

About 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine

3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 23911127) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
PubChem CID23911127
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H19N3/c1-2-9-19(10-3-1)11-8-16-24(17-20-12-4-6-14-22-20)18-21-13-5-7-15-23-21/h1-7,9-10,12-15H,16-18H2
InChIKeySFFMXPOWXIONMH-UHFFFAOYSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-(3-phenylprop-2-ynoxymethyl)pyridine
CID 10998645
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 102502892
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine (CID 23911127) is 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine is C(#Cc1ccccc1)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is SFFMXPOWXIONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-9-19(10-3-1)11-8-16-24(17-20-12-4-6-14-22-20)18-21-13-5-7-15-23-21/h1-7,9-10,12-15H,16-18H2.
What are the key properties of 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine?
3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 313.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 23911127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).