N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C14H25N3 — CID 14539725

IUPACN-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCCN(CCC)C1CCc2[nH]ncc2C1
InChIInChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeySMDLVEZTAYYBNM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds6

About N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539725) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539725
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCCN(CCC)C1CCc2[nH]ncc2C1
InChIInChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeySMDLVEZTAYYBNM-UHFFFAOYSA-N
XLogP2.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539725) is N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCCN(CCC)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is SMDLVEZTAYYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 235.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).