N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine

C7H13Cl3N2 — CID 90856144

IUPACN'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine
SMILESNCCNCCCC(Cl)=C(Cl)Cl
InChIInChI=1S/C7H13Cl3N2/c8-6(7(9)10)2-1-4-12-5-3-11/h12H,1-5,11H2
InChIKeyAVYBVDPFXIPUDZ-UHFFFAOYSA-N
MW231.55 g/mol
LogP2.20
Rot. Bonds6

About N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine

N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine (PubChem CID 90856144) has the molecular formula C7H13Cl3N2 and a molecular weight of 231.55 g/mol. Its IUPAC name is N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine
PubChem CID90856144
Molecular FormulaC7H13Cl3N2
Molecular Weight231.55 g/mol
Exact Mass230.01
IUPAC NameN'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine
SMILESNCCNCCCC(Cl)=C(Cl)Cl
InChIInChI=1S/C7H13Cl3N2/c8-6(7(9)10)2-1-4-12-5-3-11/h12H,1-5,11H2
InChIKeyAVYBVDPFXIPUDZ-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671

Frequently Asked Questions

What is the IUPAC name of N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine?
The IUPAC name of N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine (CID 90856144) is N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine is NCCNCCCC(Cl)=C(Cl)Cl.
What is the InChIKey of N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine?
The InChIKey is AVYBVDPFXIPUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3N2/c8-6(7(9)10)2-1-4-12-5-3-11/h12H,1-5,11H2.
What are the key properties of N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine?
N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine has a molecular weight of 231.55 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine is sourced from PubChem (CID 90856144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).