N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine

C11H31N7 — CID 90866572

IUPACN'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCCN(CCN)NCCNCCNCCN
InChIInChI=1S/C11H31N7/c12-2-1-10-18(11-4-14)17-9-8-16-7-6-15-5-3-13/h15-17H,1-14H2
InChIKeyQVMSAGMSMZBSFJ-UHFFFAOYSA-N
MW261.42 g/mol
LogP-2.76
Rot. Bonds14

About N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 90866572) has the molecular formula C11H31N7 and a molecular weight of 261.42 g/mol. Its IUPAC name is N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID90866572
Molecular FormulaC11H31N7
Molecular Weight261.42 g/mol
Exact Mass261.26
IUPAC NameN'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCCN(CCN)NCCNCCNCCN
InChIInChI=1S/C11H31N7/c12-2-1-10-18(11-4-14)17-9-8-16-7-6-15-5-3-13/h15-17H,1-14H2
InChIKeyQVMSAGMSMZBSFJ-UHFFFAOYSA-N
XLogP-2.76
TPSA117.39 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.42
LogP ≤ 5-2.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
CID 19708261
N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine
CID 89262213
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-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
2-[2-aminoethyl-(2-aminoethylamino)amino]ethanol
CID 174634522
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;pentahydrochloride
CID 10150970
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
3-[2-[(2-aminoethylamino)-(3-sulfopropyl)amino]ethylamino]propane-1-sulfonic acid
CID 123778865
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine (CID 90866572) is N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine is NCCCN(CCN)NCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is QVMSAGMSMZBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H31N7/c12-2-1-10-18(11-4-14)17-9-8-16-7-6-15-5-3-13/h15-17H,1-14H2.
What are the key properties of N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 261.42 g/mol, XLogP of -2.76, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 90866572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).