[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol

C12H22N2O — CID 79507841

IUPAC[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol
SMILESOCC1(NC2=NCCCCC2)CCCC1
InChIInChI=1S/C12H22N2O/c15-10-12(7-3-4-8-12)14-11-6-2-1-5-9-13-11/h15H,1-10H2,(H,13,14)
InChIKeyKSYLLHDJLMIDFC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.85
Rot. Bonds2

About [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol

[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol (PubChem CID 79507841) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol
PubChem CID79507841
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol
SMILESOCC1(NC2=NCCCCC2)CCCC1
InChIInChI=1S/C12H22N2O/c15-10-12(7-3-4-8-12)14-11-6-2-1-5-9-13-11/h15H,1-10H2,(H,13,14)
InChIKeyKSYLLHDJLMIDFC-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol?
The IUPAC name of [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol (CID 79507841) is [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol is OCC1(NC2=NCCCCC2)CCCC1.
What is the InChIKey of [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol?
The InChIKey is KSYLLHDJLMIDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-10-12(7-3-4-8-12)14-11-6-2-1-5-9-13-11/h15H,1-10H2,(H,13,14).
What are the key properties of [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol?
[1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol has a molecular weight of 210.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79507841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).