4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine

C18H27N3 — CID 79609349

IUPAC4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1nn(C)c2ccccc12
InChIInChI=1S/C18H27N3/c1-14(2)13-19-11-7-8-15(3)12-17-16-9-5-6-10-18(16)21(4)20-17/h5-6,8-10,14,19H,7,11-13H2,1-4H3
InChIKeyGTKAYJMZTTULBQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.70
Rot. Bonds7

About 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine

4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79609349) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79609349
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1nn(C)c2ccccc12
InChIInChI=1S/C18H27N3/c1-14(2)13-19-11-7-8-15(3)12-17-16-9-5-6-10-18(16)21(4)20-17/h5-6,8-10,14,19H,7,11-13H2,1-4H3
InChIKeyGTKAYJMZTTULBQ-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79609349) is 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)Cc1nn(C)c2ccccc12.
What is the InChIKey of 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is GTKAYJMZTTULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)13-19-11-7-8-15(3)12-17-16-9-5-6-10-18(16)21(4)20-17/h5-6,8-10,14,19H,7,11-13H2,1-4H3.
What are the key properties of 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylindazol-3-yl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79609349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).