3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine

C17H28N4 — CID 79095493

IUPAC3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1nn(CC)c2ccccc12)CN(C)C
InChIInChI=1S/C17H28N4/c1-5-11-18-14(13-20(3)4)12-16-15-9-7-8-10-17(15)21(6-2)19-16/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeySBTSVBFQVMZFLQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.53
Rot. Bonds8

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

3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (PubChem CID 79095493) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
PubChem CID79095493
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1nn(CC)c2ccccc12)CN(C)C
InChIInChI=1S/C17H28N4/c1-5-11-18-14(13-20(3)4)12-16-15-9-7-8-10-17(15)21(6-2)19-16/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeySBTSVBFQVMZFLQ-UHFFFAOYSA-N
XLogP2.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
[4-ethoxy-1-(1-ethylindazol-3-yl)butan-2-yl]hydrazine
CID 105317245
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
CID 81012209
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (CID 79095493) is 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine is CCCNC(Cc1nn(CC)c2ccccc12)CN(C)C.
What is the InChIKey of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The InChIKey is SBTSVBFQVMZFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-11-18-14(13-20(3)4)12-16-15-9-7-8-10-17(15)21(6-2)19-16/h7-10,14,18H,5-6,11-13H2,1-4H3.
What are the key properties of 3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.53, 8 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-dimethyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79095493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).