N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine

C17H27N3O — CID 116719285

IUPACN-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
SMILESCCCC(OC)C(Cc1nn(C)c2ccccc12)NCC
InChIInChI=1S/C17H27N3O/c1-5-9-17(21-4)15(18-6-2)12-14-13-10-7-8-11-16(13)20(3)19-14/h7-8,10-11,15,17-18H,5-6,9,12H2,1-4H3
InChIKeyQCTAKXFCMMOFAN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds8

About N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine

N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine (PubChem CID 116719285) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
PubChem CID116719285
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
SMILESCCCC(OC)C(Cc1nn(C)c2ccccc12)NCC
InChIInChI=1S/C17H27N3O/c1-5-9-17(21-4)15(18-6-2)12-14-13-10-7-8-11-16(13)20(3)19-14/h7-8,10-11,15,17-18H,5-6,9,12H2,1-4H3
InChIKeyQCTAKXFCMMOFAN-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine 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

N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
CID 116711328
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
CID 103546905
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
[3-ethyl-1-(1-methylindazol-3-yl)heptan-2-yl]hydrazine
CID 105318169
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
CID 102698056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine (CID 116719285) is N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine is CCCC(OC)C(Cc1nn(C)c2ccccc12)NCC.
What is the InChIKey of N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine?
The InChIKey is QCTAKXFCMMOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-9-17(21-4)15(18-6-2)12-14-13-10-7-8-11-16(13)20(3)19-14/h7-8,10-11,15,17-18H,5-6,9,12H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine?
N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine is sourced from PubChem (CID 116719285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).