3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane

C16H27N3 — CID 144540628

IUPAC3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane
SMILESCC.Cc1ccc2c(C)nn(CCCN(C)C)c2c1
InChIInChI=1S/C14H21N3.C2H6/c1-11-6-7-13-12(2)15-17(14(13)10-11)9-5-8-16(3)4;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3
InChIKeyZIGXRVUILUHYDG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.63
Rot. Bonds4

About 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane

3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane (PubChem CID 144540628) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane.

Molecular Properties

Compound Name3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane
PubChem CID144540628
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane
SMILESCC.Cc1ccc2c(C)nn(CCCN(C)C)c2c1
InChIInChI=1S/C14H21N3.C2H6/c1-11-6-7-13-12(2)15-17(14(13)10-11)9-5-8-16(3)4;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3
InChIKeyZIGXRVUILUHYDG-UHFFFAOYSA-N
XLogP3.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane?
The IUPAC name of 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane (CID 144540628) is 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane.
What is the SMILES notation for 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane?
The canonical SMILES for 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane is CC.Cc1ccc2c(C)nn(CCCN(C)C)c2c1.
What is the InChIKey of 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane?
The InChIKey is ZIGXRVUILUHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C2H6/c1-11-6-7-13-12(2)15-17(14(13)10-11)9-5-8-16(3)4;1-2/h6-7,10H,5,8-9H2,1-4H3;1-2H3.
What are the key properties of 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane?
3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane has a molecular weight of 261.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane is sourced from PubChem (CID 144540628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).