4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine

C13H21N3 — CID 83858840

IUPAC4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine
SMILESNC1CCC(c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C13H21N3/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h9-10H,1-8,14H2,(H,15,16)
InChIKeyGRGIFNSLSVCFKN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds1

About 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine

4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine (PubChem CID 83858840) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine
PubChem CID83858840
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine
SMILESNC1CCC(c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C13H21N3/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h9-10H,1-8,14H2,(H,15,16)
InChIKeyGRGIFNSLSVCFKN-UHFFFAOYSA-N
XLogP2.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine (CID 83858840) is 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine is NC1CCC(c2n[nH]c3c2CCCC3)CC1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine?
The InChIKey is GRGIFNSLSVCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h9-10H,1-8,14H2,(H,15,16).
What are the key properties of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine?
4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 83858840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).