1-(1-methylindazol-3-yl)oct-7-en-1-amine

C16H23N3 — CID 107012125

IUPAC1-(1-methylindazol-3-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-3-4-5-6-7-11-14(17)16-13-10-8-9-12-15(13)19(2)18-16/h3,8-10,12,14H,1,4-7,11,17H2,2H3
InChIKeyWVGTXRUTOXUGHZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.71
Rot. Bonds7

About 1-(1-methylindazol-3-yl)oct-7-en-1-amine

1-(1-methylindazol-3-yl)oct-7-en-1-amine (PubChem CID 107012125) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)oct-7-en-1-amine
PubChem CID107012125
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1-methylindazol-3-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-3-4-5-6-7-11-14(17)16-13-10-8-9-12-15(13)19(2)18-16/h3,8-10,12,14H,1,4-7,11,17H2,2H3
InChIKeyWVGTXRUTOXUGHZ-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
1-(3-methylimidazol-4-yl)oct-7-en-1-amine
CID 107009628
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
1-pyridin-2-yloct-7-en-1-amine
CID 107008819
1-(benzimidazol-1-yl)non-8-en-2-amine
CID 107011933

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)oct-7-en-1-amine?
The IUPAC name of 1-(1-methylindazol-3-yl)oct-7-en-1-amine (CID 107012125) is 1-(1-methylindazol-3-yl)oct-7-en-1-amine.
What is the SMILES notation for 1-(1-methylindazol-3-yl)oct-7-en-1-amine?
The canonical SMILES for 1-(1-methylindazol-3-yl)oct-7-en-1-amine is C=CCCCCCC(N)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)oct-7-en-1-amine?
The InChIKey is WVGTXRUTOXUGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-6-7-11-14(17)16-13-10-8-9-12-15(13)19(2)18-16/h3,8-10,12,14H,1,4-7,11,17H2,2H3.
What are the key properties of 1-(1-methylindazol-3-yl)oct-7-en-1-amine?
1-(1-methylindazol-3-yl)oct-7-en-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)oct-7-en-1-amine is sourced from PubChem (CID 107012125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).