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

C13H24N2O — CID 79503539

IUPAC[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNC1=NCCCCC1
InChIInChI=1S/C13H24N2O/c16-10-12-6-4-5-11(12)9-15-13-7-2-1-3-8-14-13/h11-12,16H,1-10H2,(H,14,15)
InChIKeyGFUBDMQUHUUHGD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.96
Rot. Bonds3

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

[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol (PubChem CID 79503539) 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]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol
PubChem CID79503539
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNC1=NCCCCC1
InChIInChI=1S/C13H24N2O/c16-10-12-6-4-5-11(12)9-15-13-7-2-1-3-8-14-13/h11-12,16H,1-10H2,(H,14,15)
InChIKeyGFUBDMQUHUUHGD-UHFFFAOYSA-N
XLogP1.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.96
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]cyclopentyl]methanol?
The IUPAC name of [2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol (CID 79503539) is [2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol is OCC1CCCC1CNC1=NCCCCC1.
What is the InChIKey of [2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol?
The InChIKey is GFUBDMQUHUUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-10-12-6-4-5-11(12)9-15-13-7-2-1-3-8-14-13/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]cyclopentyl]methanol?
[2-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclopentyl]methanol has a molecular weight of 224.35 g/mol, XLogP of 1.96, 3 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]cyclopentyl]methanol is sourced from PubChem (CID 79503539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).