N-methyl-1-(1-methylindazol-3-yl)octan-1-amine

C17H27N3 — CID 103126552

IUPACN-methyl-1-(1-methylindazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C17H27N3/c1-4-5-6-7-8-12-15(18-2)17-14-11-9-10-13-16(14)20(3)19-17/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyBOXZZFHNWLTVTC-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.19
Rot. Bonds8

About N-methyl-1-(1-methylindazol-3-yl)octan-1-amine

N-methyl-1-(1-methylindazol-3-yl)octan-1-amine (PubChem CID 103126552) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-1-(1-methylindazol-3-yl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindazol-3-yl)octan-1-amine
PubChem CID103126552
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-1-(1-methylindazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C17H27N3/c1-4-5-6-7-8-12-15(18-2)17-14-11-9-10-13-16(14)20(3)19-17/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyBOXZZFHNWLTVTC-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-(1-methylindazol-3-yl)octan-1-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)octan-1-amine
CID 103126554
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
CID 103128134
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindazol-3-yl)octan-1-amine?
The IUPAC name of N-methyl-1-(1-methylindazol-3-yl)octan-1-amine (CID 103126552) is N-methyl-1-(1-methylindazol-3-yl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(1-methylindazol-3-yl)octan-1-amine?
The canonical SMILES for N-methyl-1-(1-methylindazol-3-yl)octan-1-amine is CCCCCCCC(NC)c1nn(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylindazol-3-yl)octan-1-amine?
The InChIKey is BOXZZFHNWLTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-5-6-7-8-12-15(18-2)17-14-11-9-10-13-16(14)20(3)19-17/h9-11,13,15,18H,4-8,12H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylindazol-3-yl)octan-1-amine?
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindazol-3-yl)octan-1-amine is sourced from PubChem (CID 103126552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).