3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine

C18H29N3 — CID 81026787

IUPAC3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1nn(C)c2ccccc12
InChIInChI=1S/C18H29N3/c1-14(2)13-19-11-10-18(3,4)12-16-15-8-6-7-9-17(15)21(5)20-16/h6-9,14,19H,10-13H2,1-5H3
InChIKeyNMMDBVBCWDWUMU-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.78
Rot. Bonds7

About 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine

3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 81026787) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID81026787
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1nn(C)c2ccccc12
InChIInChI=1S/C18H29N3/c1-14(2)13-19-11-10-18(3,4)12-16-15-8-6-7-9-17(15)21(5)20-16/h6-9,14,19H,10-13H2,1-5H3
InChIKeyNMMDBVBCWDWUMU-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine (CID 81026787) is 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NMMDBVBCWDWUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)13-19-11-10-18(3,4)12-16-15-8-6-7-9-17(15)21(5)20-16/h6-9,14,19H,10-13H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine?
3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1-methylindazol-3-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81026787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).