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

C13H28N4 — CID 87437605

IUPACN-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESC/C(=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-XGRKLIJNSA-N
MW240.39 g/mol
LogP1.06
Rot. Bonds8

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

N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 87437605) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID87437605
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESC/C(=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-XGRKLIJNSA-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-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 87437605) is N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine is C/C(=C/C(C)=N/CCN(C)C)NCCN(C)C.
What is the InChIKey of N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GBSKFNLFPFYUQV-XGRKLIJNSA-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-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[(Z)-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-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 87437605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).