[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol

C12H22N2O — CID 103966381

IUPAC[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2=NCCC2)CCCCC1
InChIInChI=1S/C12H22N2O/c15-10-12(6-2-1-3-7-12)9-14-11-5-4-8-13-11/h15H,1-10H2,(H,13,14)
InChIKeyGZMKLAYPVXLYPV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.71
Rot. Bonds3

About [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol

[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol (PubChem CID 103966381) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol
PubChem CID103966381
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2=NCCC2)CCCCC1
InChIInChI=1S/C12H22N2O/c15-10-12(6-2-1-3-7-12)9-14-11-5-4-8-13-11/h15H,1-10H2,(H,13,14)
InChIKeyGZMKLAYPVXLYPV-UHFFFAOYSA-N
XLogP1.71
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol (CID 103966381) is [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol is OCC1(CNC2=NCCC2)CCCCC1.
What is the InChIKey of [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is GZMKLAYPVXLYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-10-12(6-2-1-3-7-12)9-14-11-5-4-8-13-11/h15H,1-10H2,(H,13,14).
What are the key properties of [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol?
[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 210.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).