1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine

C8H28N10 — CID 87482541

IUPAC1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine
SMILESNCCNCCNCCNC(N)C(N)(N)N(N)N
InChIInChI=1S/C8H28N10/c9-1-2-15-3-4-16-5-6-17-7(10)8(11,12)18(13)14/h7,15-17H,1-6,9-14H2
InChIKeyJDVJPKVUIJHNEC-UHFFFAOYSA-N
MW264.38 g/mol
LogP-5.38
Rot. Bonds11

About 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine

1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine (PubChem CID 87482541) has the molecular formula C8H28N10 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine.

Molecular Properties

Compound Name1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine
PubChem CID87482541
Molecular FormulaC8H28N10
Molecular Weight264.38 g/mol
Exact Mass264.25
IUPAC Name1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine
SMILESNCCNCCNCCNC(N)C(N)(N)N(N)N
InChIInChI=1S/C8H28N10/c9-1-2-15-3-4-16-5-6-17-7(10)8(11,12)18(13)14/h7,15-17H,1-6,9-14H2
InChIKeyJDVJPKVUIJHNEC-UHFFFAOYSA-N
XLogP-5.38
TPSA195.45 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 5-5.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine?
The IUPAC name of 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine (CID 87482541) is 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine.
What is the SMILES notation for 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine?
The canonical SMILES for 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine is NCCNCCNCCNC(N)C(N)(N)N(N)N.
What is the InChIKey of 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine?
The InChIKey is JDVJPKVUIJHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H28N10/c9-1-2-15-3-4-16-5-6-17-7(10)8(11,12)18(13)14/h7,15-17H,1-6,9-14H2.
What are the key properties of 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine?
1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine has a molecular weight of 264.38 g/mol, XLogP of -5.38, 11 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N",1-N"-diamino-2-N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,1,1,2,2-pentamine is sourced from PubChem (CID 87482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).