4-cyclohexyl-2H-pyrrol-5-amine

C10H16N2 — CID 58077625

IUPAC4-cyclohexyl-2H-pyrrol-5-amine
SMILESNC1=NCC=C1C1CCCCC1
InChIInChI=1S/C10H16N2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,11,12)
InChIKeyMLFMXCHNBFQJJO-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.86
Rot. Bonds1

About 4-cyclohexyl-2H-pyrrol-5-amine

4-cyclohexyl-2H-pyrrol-5-amine (PubChem CID 58077625) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-cyclohexyl-2H-pyrrol-5-amine.

Molecular Properties

Compound Name4-cyclohexyl-2H-pyrrol-5-amine
PubChem CID58077625
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-cyclohexyl-2H-pyrrol-5-amine
SMILESNC1=NCC=C1C1CCCCC1
InChIInChI=1S/C10H16N2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,11,12)
InChIKeyMLFMXCHNBFQJJO-UHFFFAOYSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2H-pyrrol-5-amine?
The IUPAC name of 4-cyclohexyl-2H-pyrrol-5-amine (CID 58077625) is 4-cyclohexyl-2H-pyrrol-5-amine.
What is the SMILES notation for 4-cyclohexyl-2H-pyrrol-5-amine?
The canonical SMILES for 4-cyclohexyl-2H-pyrrol-5-amine is NC1=NCC=C1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2H-pyrrol-5-amine?
The InChIKey is MLFMXCHNBFQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,11,12).
What are the key properties of 4-cyclohexyl-2H-pyrrol-5-amine?
4-cyclohexyl-2H-pyrrol-5-amine has a molecular weight of 164.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2H-pyrrol-5-amine is sourced from PubChem (CID 58077625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).