methane;1H-pyrrol-2-ylmethanamine

C6H12N2 — CID 162272370

IUPACmethane;1H-pyrrol-2-ylmethanamine
SMILESC.NCc1ccc[nH]1
InChIInChI=1S/C5H8N2.CH4/c6-4-5-2-1-3-7-5;/h1-3,7H,4,6H2;1H4
InChIKeyBSKUFLVSZAXOCG-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.11
Rot. Bonds1

About methane;1H-pyrrol-2-ylmethanamine

methane;1H-pyrrol-2-ylmethanamine (PubChem CID 162272370) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is methane;1H-pyrrol-2-ylmethanamine.

Molecular Properties

Compound Namemethane;1H-pyrrol-2-ylmethanamine
PubChem CID162272370
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namemethane;1H-pyrrol-2-ylmethanamine
SMILESC.NCc1ccc[nH]1
InChIInChI=1S/C5H8N2.CH4/c6-4-5-2-1-3-7-5;/h1-3,7H,4,6H2;1H4
InChIKeyBSKUFLVSZAXOCG-UHFFFAOYSA-N
XLogP1.11
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2,5-Dimethylpyrrole
CID 12265
2-Pyridinemethanamine
CID 19509
Betahistine Hydrochloride
CID 68643
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
2-Methylpyrrole
CID 12489
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
2,4-Dimethylpyrrole
CID 39539
N-Phenyl-2-pyridinemethanamine
CID 78027
2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 345764
2-Phenylpyrrole
CID 72898

Frequently Asked Questions

What is the IUPAC name of methane;1H-pyrrol-2-ylmethanamine?
The IUPAC name of methane;1H-pyrrol-2-ylmethanamine (CID 162272370) is methane;1H-pyrrol-2-ylmethanamine.
What is the SMILES notation for methane;1H-pyrrol-2-ylmethanamine?
The canonical SMILES for methane;1H-pyrrol-2-ylmethanamine is C.NCc1ccc[nH]1.
What is the InChIKey of methane;1H-pyrrol-2-ylmethanamine?
The InChIKey is BSKUFLVSZAXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.CH4/c6-4-5-2-1-3-7-5;/h1-3,7H,4,6H2;1H4.
What are the key properties of methane;1H-pyrrol-2-ylmethanamine?
methane;1H-pyrrol-2-ylmethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1H-pyrrol-2-ylmethanamine is sourced from PubChem (CID 162272370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).