1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine

C11H27N5 — CID 166924178

IUPAC1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine
SMILESC=C(N)CN(CCN)CCNCCNCC
InChIInChI=1S/C11H27N5/c1-3-14-5-6-15-7-9-16(8-4-12)10-11(2)13/h14-15H,2-10,12-13H2,1H3
InChIKeyPDJUHKMBWODLJZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP-1.08
Rot. Bonds11

About 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine

1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine (PubChem CID 166924178) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine
PubChem CID166924178
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine
SMILESC=C(N)CN(CCN)CCNCCNCC
InChIInChI=1S/C11H27N5/c1-3-14-5-6-15-7-9-16(8-4-12)10-11(2)13/h14-15H,2-10,12-13H2,1H3
InChIKeyPDJUHKMBWODLJZ-UHFFFAOYSA-N
XLogP-1.08
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-[2-[2-[2-aminoethyl-[2-(ethylamino)ethyl]amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 145374595
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;chloroethane;sulfanylidenephosphane
CID 159016160
3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane
CID 145493073
N-(2-aminoethyl)-N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethyl-methylamino]ethyl]-N-[2-[2-aminoethyl-[2-[2-aminoethyl(butyl)amino]ethyl]amino]ethyl]-N'-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethyl]pentane-1,5-diamine
CID 159450647
2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
CID 90906484
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
N'-[2-[2-(2-aminoethylamino)ethyl-[3-[3-[2-aminoethyl(3-aminopropyl)amino]propylamino]propyl]amino]ethyl]-N'-[2-[bis(3-aminopropyl)amino]ethyl]heptane-1,7-diamine;N-ethylpentan-1-amine
CID 165036061
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine (CID 166924178) is 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine is C=C(N)CN(CCN)CCNCCNCC.
What is the InChIKey of 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine?
The InChIKey is PDJUHKMBWODLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-3-14-5-6-15-7-9-16(8-4-12)10-11(2)13/h14-15H,2-10,12-13H2,1H3.
What are the key properties of 1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine?
1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of -1.08, 11 rotatable bonds, 4 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-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 166924178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).