1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol

C10H16N2O — CID 115686214

IUPAC1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2cc[nH]c2)CCC1
InChIInChI=1S/C10H16N2O/c13-10(3-1-4-10)8-12-7-9-2-5-11-6-9/h2,5-6,11-13H,1,3-4,7-8H2
InChIKeyZAAIERBULCLFKA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.02
Rot. Bonds4

About 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol

1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 115686214) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID115686214
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2cc[nH]c2)CCC1
InChIInChI=1S/C10H16N2O/c13-10(3-1-4-10)8-12-7-9-2-5-11-6-9/h2,5-6,11-13H,1,3-4,7-8H2
InChIKeyZAAIERBULCLFKA-UHFFFAOYSA-N
XLogP1.02
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
CID 115751845
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 102911180
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol (CID 115686214) is 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol is OC1(CNCc2cc[nH]c2)CCC1.
What is the InChIKey of 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is ZAAIERBULCLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(3-1-4-10)8-12-7-9-2-5-11-6-9/h2,5-6,11-13H,1,3-4,7-8H2.
What are the key properties of 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol?
1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115686214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).