N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine

C11H20N2 — CID 15001041

IUPACN,N',N'-tris(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC=C)CC=C
InChIInChI=1S/C11H20N2/c1-4-7-12-8-11-13(9-5-2)10-6-3/h4-6,12H,1-3,7-11H2
InChIKeyIWJBKSLINBGIGS-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.44
Rot. Bonds9

About N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine

N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine (PubChem CID 15001041) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N',N'-tris(prop-2-enyl)ethane-1,2-diamine
PubChem CID15001041
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N',N'-tris(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC=C)CC=C
InChIInChI=1S/C11H20N2/c1-4-7-12-8-11-13(9-5-2)10-6-3/h4-6,12H,1-3,7-11H2
InChIKeyIWJBKSLINBGIGS-UHFFFAOYSA-N
XLogP1.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine (CID 15001041) is N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine is C=CCNCCN(CC=C)CC=C.
What is the InChIKey of N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine?
The InChIKey is IWJBKSLINBGIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-12-8-11-13(9-5-2)10-6-3/h4-6,12H,1-3,7-11H2.
What are the key properties of N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine?
N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 15001041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).