N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine

C14H25N3 — CID 65356402

IUPACN-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine
SMILESCCNC1CC(C)(C)Cc2c1cnn2C(C)C
InChIInChI=1S/C14H25N3/c1-6-15-12-7-14(4,5)8-13-11(12)9-16-17(13)10(2)3/h9-10,12,15H,6-8H2,1-5H3
InChIKeyVPGISQMFDFOYTQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds3

About N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine

N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 65356402) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound NameN-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine
PubChem CID65356402
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine
SMILESCCNC1CC(C)(C)Cc2c1cnn2C(C)C
InChIInChI=1S/C14H25N3/c1-6-15-12-7-14(4,5)8-13-11(12)9-16-17(13)10(2)3/h9-10,12,15H,6-8H2,1-5H3
InChIKeyVPGISQMFDFOYTQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine (CID 65356402) is N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine is CCNC1CC(C)(C)Cc2c1cnn2C(C)C.
What is the InChIKey of N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is VPGISQMFDFOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-15-12-7-14(4,5)8-13-11(12)9-16-17(13)10(2)3/h9-10,12,15H,6-8H2,1-5H3.
What are the key properties of N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine?
N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 65356402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).