6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine

C14H25N3 — CID 65356455

IUPAC6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
SMILESCCC(CC)n1ncc2c1CC(C)(C)CC2N
InChIInChI=1S/C14H25N3/c1-5-10(6-2)17-13-8-14(3,4)7-12(15)11(13)9-16-17/h9-10,12H,5-8,15H2,1-4H3
InChIKeyDGVCIRUGQOMVNK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.22
Rot. Bonds3

About 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine

6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 65356455) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
PubChem CID65356455
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
SMILESCCC(CC)n1ncc2c1CC(C)(C)CC2N
InChIInChI=1S/C14H25N3/c1-5-10(6-2)17-13-8-14(3,4)7-12(15)11(13)9-16-17/h9-10,12H,5-8,15H2,1-4H3
InChIKeyDGVCIRUGQOMVNK-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine (CID 65356455) is 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine is CCC(CC)n1ncc2c1CC(C)(C)CC2N.
What is the InChIKey of 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is DGVCIRUGQOMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-10(6-2)17-13-8-14(3,4)7-12(15)11(13)9-16-17/h9-10,12H,5-8,15H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine?
6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 65356455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).