N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine

C28H52N6 — CID 88502232

IUPACN'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN
InChIInChI=1S/C28H52N6/c1-7-14-30(15-8-2)21-23-32(17-10-4)25-27-34(19-12-6)28-26-33(18-11-5)24-22-31(16-9-3)20-13-29/h7-12H,1-6,13-29H2
InChIKeyVETNDQBTZLRYQE-UHFFFAOYSA-N
MW472.77 g/mol
LogP2.57
Rot. Bonds26

About N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine

N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine (PubChem CID 88502232) has the molecular formula C28H52N6 and a molecular weight of 472.77 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine
PubChem CID88502232
Molecular FormulaC28H52N6
Molecular Weight472.77 g/mol
Exact Mass472.43
IUPAC NameN'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN
InChIInChI=1S/C28H52N6/c1-7-14-30(15-8-2)21-23-32(17-10-4)25-27-34(19-12-6)28-26-33(18-11-5)24-22-31(16-9-3)20-13-29/h7-12H,1-6,13-29H2
InChIKeyVETNDQBTZLRYQE-UHFFFAOYSA-N
XLogP2.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine (CID 88502232) is N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine is C=CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN(CC=C)CCN.
What is the InChIKey of N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is VETNDQBTZLRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N6/c1-7-14-30(15-8-2)21-23-32(17-10-4)25-27-34(19-12-6)28-26-33(18-11-5)24-22-31(16-9-3)20-13-29/h7-12H,1-6,13-29H2.
What are the key properties of N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine?
N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 472.77 g/mol, XLogP of 2.57, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 88502232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).