N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine

C20H20N2 — CID 175056682

IUPACN-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC#C)Cc1ccccc1CN(CC#C)CC#C
InChIInChI=1S/C20H20N2/c1-5-13-21(14-6-2)17-19-11-9-10-12-20(19)18-22(15-7-3)16-8-4/h1-4,9-12H,13-18H2
InChIKeyWVCIALDBXQYKTR-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.82
Rot. Bonds8

About N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine

N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine (PubChem CID 175056682) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
PubChem CID175056682
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC#C)Cc1ccccc1CN(CC#C)CC#C
InChIInChI=1S/C20H20N2/c1-5-13-21(14-6-2)17-19-11-9-10-12-20(19)18-22(15-7-3)16-8-4/h1-4,9-12H,13-18H2
InChIKeyWVCIALDBXQYKTR-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The IUPAC name of N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine (CID 175056682) is N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine.
What is the SMILES notation for N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The canonical SMILES for N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine is C#CCN(CC#C)Cc1ccccc1CN(CC#C)CC#C.
What is the InChIKey of N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The InChIKey is WVCIALDBXQYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-5-13-21(14-6-2)17-19-11-9-10-12-20(19)18-22(15-7-3)16-8-4/h1-4,9-12H,13-18H2.
What are the key properties of N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine has a molecular weight of 288.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine is sourced from PubChem (CID 175056682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).