(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine

C14H14N2 — CID 139257283

IUPAC(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine
SMILESC#CCN(/C=C/N(CC#C)CC#C)CC#C
InChIInChI=1S/C14H14N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h1-4,13-14H,9-12H2/b14-13+
InChIKeyAXXZWMYORALFMG-BUHFOSPRSA-N
MW210.28 g/mol
LogP0.59
Rot. Bonds6

About (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine

(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine (PubChem CID 139257283) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine
PubChem CID139257283
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine
SMILESC#CCN(/C=C/N(CC#C)CC#C)CC#C
InChIInChI=1S/C14H14N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h1-4,13-14H,9-12H2/b14-13+
InChIKeyAXXZWMYORALFMG-BUHFOSPRSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.59
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 (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine?
The IUPAC name of (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine (CID 139257283) is (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine.
What is the SMILES notation for (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine?
The canonical SMILES for (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine is C#CCN(/C=C/N(CC#C)CC#C)CC#C.
What is the InChIKey of (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine?
The InChIKey is AXXZWMYORALFMG-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H14N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h1-4,13-14H,9-12H2/b14-13+.
What are the key properties of (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine?
(E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N'-tetrakis(prop-2-ynyl)ethene-1,2-diamine is sourced from PubChem (CID 139257283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).