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

C12H22N2O — CID 79503444

IUPAC2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1=NCCCCC1
InChIInChI=1S/C12H22N2O/c15-11-6-4-5-10(11)9-14-12-7-2-1-3-8-13-12/h10-11,15H,1-9H2,(H,13,14)
InChIKeyOQOVGKBSTWJMBW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.71
Rot. Bonds2

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

2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol (PubChem CID 79503444) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol
PubChem CID79503444
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1=NCCCCC1
InChIInChI=1S/C12H22N2O/c15-11-6-4-5-10(11)9-14-12-7-2-1-3-8-13-12/h10-11,15H,1-9H2,(H,13,14)
InChIKeyOQOVGKBSTWJMBW-UHFFFAOYSA-N
XLogP1.71
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol (CID 79503444) is 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNC1=NCCCCC1.
What is the InChIKey of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is OQOVGKBSTWJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-11-6-4-5-10(11)9-14-12-7-2-1-3-8-13-12/h10-11,15H,1-9H2,(H,13,14).
What are the key properties of 2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol?
2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.71, 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]cyclopentan-1-ol is sourced from PubChem (CID 79503444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).