N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine

C13H28N4 — CID 86643204

IUPACN-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(=C/C(C)=N/CCN(C)C)NCCN(C)C
InChIInChI=1S/C13H28N4/c1-12(14-7-9-16(3)4)11-13(2)15-8-10-17(5)6/h11,14H,7-10H2,1-6H3/b12-11?,15-13+
InChIKeyGBSKFNLFPFYUQV-VHWNLSIYSA-N
MW240.39 g/mol
LogP1.06
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 86643204) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID86643204
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(=C/C(C)=N/CCN(C)C)NCCN(C)C
InChIInChI=1S/C13H28N4/c1-12(14-7-9-16(3)4)11-13(2)15-8-10-17(5)6/h11,14H,7-10H2,1-6H3/b12-11?,15-13+
InChIKeyGBSKFNLFPFYUQV-VHWNLSIYSA-N
XLogP1.06
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.06
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-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 86643204) is N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine is CC(=C/C(C)=N/CCN(C)C)NCCN(C)C.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GBSKFNLFPFYUQV-VHWNLSIYSA-N. The full InChI is InChI=1S/C13H28N4/c1-12(14-7-9-16(3)4)11-13(2)15-8-10-17(5)6/h11,14H,7-10H2,1-6H3/b12-11?,15-13+.
What are the key properties of N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 86643204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).