N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

C11H20ClN3 — CID 156729528

IUPACN'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=C(Cl)/C=N\C(=C)N(C)CCN(C)CC
InChIInChI=1S/C11H20ClN3/c1-6-14(4)7-8-15(5)11(3)13-9-10(2)12/h9H,2-3,6-8H2,1,4-5H3/b13-9-
InChIKeyCLDAKOSJUUTFEF-LCYFTJDESA-N
MW229.75 g/mol
LogP2.16
Rot. Bonds7

About N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 156729528) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID156729528
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=C(Cl)/C=N\C(=C)N(C)CCN(C)CC
InChIInChI=1S/C11H20ClN3/c1-6-14(4)7-8-15(5)11(3)13-9-10(2)12/h9H,2-3,6-8H2,1,4-5H3/b13-9-
InChIKeyCLDAKOSJUUTFEF-LCYFTJDESA-N
XLogP2.16
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide
CID 143834995
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine
CID 123984446
(E,4Z)-3-chloro-4-[1-[2-methylpropyl(propyl)amino]ethenylimino]but-2-en-2-amine
CID 163367935
N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142953317
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
amino N-[2-[ethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 172721921
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
3-[2-[ethyl(methyl)amino]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498005
N'-but-2-en-2-yl-N,N'-diethyl-N-methylethane-1,2-diamine
CID 123780001

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 156729528) is N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is C=C(Cl)/C=N\C(=C)N(C)CCN(C)CC.
What is the InChIKey of N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CLDAKOSJUUTFEF-LCYFTJDESA-N. The full InChI is InChI=1S/C11H20ClN3/c1-6-14(4)7-8-15(5)11(3)13-9-10(2)12/h9H,2-3,6-8H2,1,4-5H3/b13-9-.
What are the key properties of N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 229.75 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 156729528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).