3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C16H25N3 — CID 79619528

IUPAC3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1ncc2ccccc21
InChIInChI=1S/C16H25N3/c1-13(2)9-17-11-16(3,4)12-19-15-8-6-5-7-14(15)10-18-19/h5-8,10,13,17H,9,11-12H2,1-4H3
InChIKeyCXUXECJBTYCIMW-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.31
Rot. Bonds6

About 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 79619528) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID79619528
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1ncc2ccccc21
InChIInChI=1S/C16H25N3/c1-13(2)9-17-11-16(3,4)12-19-15-8-6-5-7-14(15)10-18-19/h5-8,10,13,17H,9,11-12H2,1-4H3
InChIKeyCXUXECJBTYCIMW-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 79619528) is 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)Cn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is CXUXECJBTYCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)9-17-11-16(3,4)12-19-15-8-6-5-7-14(15)10-18-19/h5-8,10,13,17H,9,11-12H2,1-4H3.
What are the key properties of 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79619528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).