N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

C23H25N5 — CID 102448353

IUPACN-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC#CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H25N5/c1-2-15-27(18-21-9-3-6-12-24-21)16-17-28(19-22-10-4-7-13-25-22)20-23-11-5-8-14-26-23/h1,3-14H,15-20H2
InChIKeyORRKIENZWCNMQA-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.01
Rot. Bonds10

About N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102448353) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID102448353
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC NameN-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC#CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H25N5/c1-2-15-27(18-21-9-3-6-12-24-21)16-17-28(19-22-10-4-7-13-25-22)20-23-11-5-8-14-26-23/h1,3-14H,15-20H2
InChIKeyORRKIENZWCNMQA-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
CID 23911127

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 102448353) is N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is C#CCN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ORRKIENZWCNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-2-15-27(18-21-9-3-6-12-24-21)16-17-28(19-22-10-4-7-13-25-22)20-23-11-5-8-14-26-23/h1,3-14H,15-20H2.
What are the key properties of N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 371.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102448353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).