2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine

C10H24N6 — CID 54426344

IUPAC2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine
SMILESCC=NC(C/N=C/C)NC(N)CNC(C)N
InChIInChI=1S/C10H24N6/c1-4-13-7-10(14-5-2)16-9(12)6-15-8(3)11/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/b13-4+,14-5?
InChIKeyDLRHTHWCMQITRG-GJXFESCXSA-N
MW228.34 g/mol
LogP-0.74
Rot. Bonds8

About 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine

2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine (PubChem CID 54426344) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine.

Molecular Properties

Compound Name2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine
PubChem CID54426344
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC Name2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine
SMILESCC=NC(C/N=C/C)NC(N)CNC(C)N
InChIInChI=1S/C10H24N6/c1-4-13-7-10(14-5-2)16-9(12)6-15-8(3)11/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/b13-4+,14-5?
InChIKeyDLRHTHWCMQITRG-GJXFESCXSA-N
XLogP-0.74
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine?
The IUPAC name of 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine (CID 54426344) is 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine.
What is the SMILES notation for 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine?
The canonical SMILES for 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine is CC=NC(C/N=C/C)NC(N)CNC(C)N.
What is the InChIKey of 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine?
The InChIKey is DLRHTHWCMQITRG-GJXFESCXSA-N. The full InChI is InChI=1S/C10H24N6/c1-4-13-7-10(14-5-2)16-9(12)6-15-8(3)11/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/b13-4+,14-5?.
What are the key properties of 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine?
2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine has a molecular weight of 228.34 g/mol, XLogP of -0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-aminoethyl)-1-N'-[1,2-bis(ethylideneamino)ethyl]ethane-1,1,2-triamine is sourced from PubChem (CID 54426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).