N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C11H23N3 — CID 123367064

IUPACN'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C(/C=C(\C)N(C)CCN(C)C)CC
InChIInChI=1S/C11H23N3/c1-6-11(12)9-10(2)14(5)8-7-13(3)4/h9,12H,6-8H2,1-5H3/b10-9+,12-11+
InChIKeyRBQJJKLXXIIVCU-HULFFUFUSA-N
MW197.33 g/mol
LogP1.81
Rot. Bonds6

About N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 123367064) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID123367064
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C(/C=C(\C)N(C)CCN(C)C)CC
InChIInChI=1S/C11H23N3/c1-6-11(12)9-10(2)14(5)8-7-13(3)4/h9,12H,6-8H2,1-5H3/b10-9+,12-11+
InChIKeyRBQJJKLXXIIVCU-HULFFUFUSA-N
XLogP1.81
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(N,N-dimethylamino)ethyl)-4-(2-(N,N-dimethylamino)ethylimino)-2-penten-2-amine
CID 86643204
N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 87437605
(Z)-4-[2-(dimethylamino)ethylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561717
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 118423086
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
(E)-5-(azetidin-1-yl)hept-4-en-3-imine
CID 123814783
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
(Z)-4-ethyliminohex-2-en-2-amine
CID 153623410
ethane;(Z)-4-ethyliminohex-2-en-2-amine
CID 153623593
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)pent-1-en-2-amine
CID 156637551

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 123367064) is N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine is [H]/N=C(/C=C(\C)N(C)CCN(C)C)CC.
What is the InChIKey of N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is RBQJJKLXXIIVCU-HULFFUFUSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-11(12)9-10(2)14(5)8-7-13(3)4/h9,12H,6-8H2,1-5H3/b10-9+,12-11+.
What are the key properties of N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 123367064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).