N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine

C14H22N6 — CID 126810988

IUPACN,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN(C)c1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C14H22N6/c1-17(13-7-11-19(3)15-13)9-5-6-10-18(2)14-8-12-20(4)16-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXWSOPRJIEUGCLZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.28
Rot. Bonds6

About N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine

N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine (PubChem CID 126810988) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine
PubChem CID126810988
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN(C)c1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C14H22N6/c1-17(13-7-11-19(3)15-13)9-5-6-10-18(2)14-8-12-20(4)16-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXWSOPRJIEUGCLZ-UHFFFAOYSA-N
XLogP1.28
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine (CID 126810988) is N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine is CN(CC=CCN(C)c1ccn(C)n1)c1ccn(C)n1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine?
The InChIKey is XWSOPRJIEUGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-17(13-7-11-19(3)15-13)9-5-6-10-18(2)14-8-12-20(4)16-14/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine?
N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine is sourced from PubChem (CID 126810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).