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

C11H20N2O — CID 106133212

IUPAC4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2=NCCC2)CC1
InChIInChI=1S/C11H20N2O/c14-10-5-3-9(4-6-10)8-13-11-2-1-7-12-11/h9-10,14H,1-8H2,(H,12,13)
InChIKeyVTNRHAZOHDPAIQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.32
Rot. Bonds2

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

4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106133212) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID106133212
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2=NCCC2)CC1
InChIInChI=1S/C11H20N2O/c14-10-5-3-9(4-6-10)8-13-11-2-1-7-12-11/h9-10,14H,1-8H2,(H,12,13)
InChIKeyVTNRHAZOHDPAIQ-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,5-dihydro-1H-imidazol-2-yl)henicosan-2-ol
CID 19376925
5-(4,5-dihydro-1H-imidazol-2-yl)heptadecan-2-ol
CID 19376931
5-(4,5-dihydro-1H-imidazol-2-yl)nonadecan-2-ol
CID 19376945
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
CID 79503349
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol
CID 79503444
2-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]cyclopentan-1-ol
CID 79503445
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol
CID 79503531
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol
CID 79503622
2-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]cyclohexan-1-ol
CID 79503623
[2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol
CID 79503630
[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]methanol
CID 84073268
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol
CID 106115263

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol (CID 106133212) is 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol is OC1CCC(CNC2=NCCC2)CC1.
What is the InChIKey of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is VTNRHAZOHDPAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-10-5-3-9(4-6-10)8-13-11-2-1-7-12-11/h9-10,14H,1-8H2,(H,12,13).
What are the key properties of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol?
4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).