3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C14H22N4 — CID 79092614

IUPAC3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCn1nc(CC(N)CN(C)C)c2ccccc21
InChIInChI=1S/C14H22N4/c1-4-18-14-8-6-5-7-12(14)13(16-18)9-11(15)10-17(2)3/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNAFYFXKNFUXYKU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.49
Rot. Bonds5

About 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine

3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79092614) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79092614
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCn1nc(CC(N)CN(C)C)c2ccccc21
InChIInChI=1S/C14H22N4/c1-4-18-14-8-6-5-7-12(14)13(16-18)9-11(15)10-17(2)3/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNAFYFXKNFUXYKU-UHFFFAOYSA-N
XLogP1.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 79092614) is 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CCn1nc(CC(N)CN(C)C)c2ccccc21.
What is the InChIKey of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is NAFYFXKNFUXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-18-14-8-6-5-7-12(14)13(16-18)9-11(15)10-17(2)3/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79092614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).