2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol

C13H24N2O — CID 79503622

IUPAC2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1=NCCCCC1
InChIInChI=1S/C13H24N2O/c16-12-7-4-3-6-11(12)10-15-13-8-2-1-5-9-14-13/h11-12,16H,1-10H2,(H,14,15)
InChIKeyIJGWPXJUKHYZEG-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.10
Rot. Bonds2

About 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol

2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol (PubChem CID 79503622) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol
PubChem CID79503622
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1=NCCCCC1
InChIInChI=1S/C13H24N2O/c16-12-7-4-3-6-11(12)10-15-13-8-2-1-5-9-14-13/h11-12,16H,1-10H2,(H,14,15)
InChIKeyIJGWPXJUKHYZEG-UHFFFAOYSA-N
XLogP2.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol (CID 79503622) is 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNC1=NCCCCC1.
What is the InChIKey of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is IJGWPXJUKHYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-12-7-4-3-6-11(12)10-15-13-8-2-1-5-9-14-13/h11-12,16H,1-10H2,(H,14,15).
What are the key properties of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol?
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79503622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).