ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane

C16H29N3 — CID 145062231

IUPACethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
SMILESCC.CCC.CN(C)CCn1ncc2ccccc21
InChIInChI=1S/C11H15N3.C3H8.C2H6/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12-14;1-3-2;1-2/h3-6,9H,7-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCURMBOHAONKSBT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds3

About ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane

ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane (PubChem CID 145062231) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane.

Molecular Properties

Compound Nameethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
PubChem CID145062231
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Nameethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
SMILESCC.CCC.CN(C)CCn1ncc2ccccc21
InChIInChI=1S/C11H15N3.C3H8.C2H6/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12-14;1-3-2;1-2/h3-6,9H,7-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCURMBOHAONKSBT-UHFFFAOYSA-N
XLogP4.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
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1-(4-chlorobutyl)indazole
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N,N-dimethyl-2-(6-pyridin-4-ylindazol-1-yl)ethanamine
CID 18007557
4-indazol-1-ylbutan-1-ol
CID 62142094
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
6-indazol-1-ylhexan-3-amine
CID 106800346
6-deuterio-1-propylindazole
CID 175709834

Frequently Asked Questions

What is the IUPAC name of ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane?
The IUPAC name of ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane (CID 145062231) is ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane.
What is the SMILES notation for ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane?
The canonical SMILES for ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane is CC.CCC.CN(C)CCn1ncc2ccccc21.
What is the InChIKey of ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane?
The InChIKey is CURMBOHAONKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C3H8.C2H6/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12-14;1-3-2;1-2/h3-6,9H,7-8H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane?
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane has a molecular weight of 263.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane is sourced from PubChem (CID 145062231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).