N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine

C11H22N4 — CID 90453765

IUPACN'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C(C)/C(C)=C(\N=C)N(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-9(10(2)12)11(13-3)15(6)8-7-14(4)5/h12H,3,7-8H2,1-2,4-6H3/b11-9+,12-10+
InChIKeyXNYZOZXSOURGOY-WGDLNXRISA-N
MW210.32 g/mol
LogP1.45
Rot. Bonds6

About N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 90453765) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID90453765
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C(C)/C(C)=C(\N=C)N(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-9(10(2)12)11(13-3)15(6)8-7-14(4)5/h12H,3,7-8H2,1-2,4-6H3/b11-9+,12-10+
InChIKeyXNYZOZXSOURGOY-WGDLNXRISA-N
XLogP1.45
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine (CID 90453765) is N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine is [H]/N=C(C)/C(C)=C(\N=C)N(C)CCN(C)C.
What is the InChIKey of N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is XNYZOZXSOURGOY-WGDLNXRISA-N. The full InChI is InChI=1S/C11H22N4/c1-9(10(2)12)11(13-3)15(6)8-7-14(4)5/h12H,3,7-8H2,1-2,4-6H3/b11-9+,12-10+.
What are the key properties of N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 90453765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).