1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine

C8H23N5 — CID 18468827

IUPAC1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
SMILESCC(NCCN)NCCNCCN
InChIInChI=1S/C8H23N5/c1-8(12-5-3-10)13-7-6-11-4-2-9/h8,11-13H,2-7,9-10H2,1H3
InChIKeyAZQOZOBAHPRZFE-UHFFFAOYSA-N
MW189.31 g/mol
LogP-1.98
Rot. Bonds9

About 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine

1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine (PubChem CID 18468827) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
PubChem CID18468827
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC Name1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
SMILESCC(NCCN)NCCNCCN
InChIInChI=1S/C8H23N5/c1-8(12-5-3-10)13-7-6-11-4-2-9/h8,11-13H,2-7,9-10H2,1H3
InChIKeyAZQOZOBAHPRZFE-UHFFFAOYSA-N
XLogP-1.98
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
CID 157159870
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine (CID 18468827) is 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine is CC(NCCN)NCCNCCN.
What is the InChIKey of 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine?
The InChIKey is AZQOZOBAHPRZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5/c1-8(12-5-3-10)13-7-6-11-4-2-9/h8,11-13H,2-7,9-10H2,1H3.
What are the key properties of 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine?
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine has a molecular weight of 189.31 g/mol, XLogP of -1.98, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 18468827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).