N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene

C14H28N4O3 — CID 88595733

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.NCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C6H18N4.C4H2O3.C4H8/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3;1-4(2)3/h9-10H,1-8H2;1-2H;1H2,2-3H3
InChIKeyXBBSUVAPJOUKAG-UHFFFAOYSA-N
MW300.40 g/mol
LogP-0.71
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene (PubChem CID 88595733) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene
PubChem CID88595733
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.NCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C6H18N4.C4H2O3.C4H8/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3;1-4(2)3/h9-10H,1-8H2;1-2H;1H2,2-3H3
InChIKeyXBBSUVAPJOUKAG-UHFFFAOYSA-N
XLogP-0.71
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene (CID 88595733) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene is C=C(C)C.NCCNCCNCCN.O=C1C=CC(=O)O1.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene?
The InChIKey is XBBSUVAPJOUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C4H2O3.C4H8/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3;1-4(2)3/h9-10H,1-8H2;1-2H;1H2,2-3H3.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene has a molecular weight of 300.40 g/mol, XLogP of -0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene is sourced from PubChem (CID 88595733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).