N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine

C14H22N4 — CID 62564894

IUPACN-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCCn1ncc2ccccc21
InChIInChI=1S/C14H22N4/c1-17(2)10-5-8-15-9-11-18-14-7-4-3-6-13(14)12-16-18/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyKWKQYGUGLDXWPZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.58
Rot. Bonds7

About N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine

N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62564894) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID62564894
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCCn1ncc2ccccc21
InChIInChI=1S/C14H22N4/c1-17(2)10-5-8-15-9-11-18-14-7-4-3-6-13(14)12-16-18/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyKWKQYGUGLDXWPZ-UHFFFAOYSA-N
XLogP1.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine (CID 62564894) is N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCCn1ncc2ccccc21.
What is the InChIKey of N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KWKQYGUGLDXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(2)10-5-8-15-9-11-18-14-7-4-3-6-13(14)12-16-18/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62564894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).