4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C15H24N4 — CID 115346080

IUPAC4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCn1nc(CC(N)CCN(C)C)c2ccccc21
InChIInChI=1S/C15H24N4/c1-4-19-15-8-6-5-7-13(15)14(17-19)11-12(16)9-10-18(2)3/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyVYXVCUQLAUEKMT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.88
Rot. Bonds6

About 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 115346080) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID115346080
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCn1nc(CC(N)CCN(C)C)c2ccccc21
InChIInChI=1S/C15H24N4/c1-4-19-15-8-6-5-7-13(15)14(17-19)11-12(16)9-10-18(2)3/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyVYXVCUQLAUEKMT-UHFFFAOYSA-N
XLogP1.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-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

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
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79095493
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104999362
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999436
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 115346080) is 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CCn1nc(CC(N)CCN(C)C)c2ccccc21.
What is the InChIKey of 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is VYXVCUQLAUEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-19-15-8-6-5-7-13(15)14(17-19)11-12(16)9-10-18(2)3/h5-8,12H,4,9-11,16H2,1-3H3.
What are the key properties of 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115346080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).