[1-(3-aminocyclopentyl)azepan-2-yl]methanol

C12H24N2O — CID 116640609

IUPAC[1-(3-aminocyclopentyl)azepan-2-yl]methanol
SMILESNC1CCC(N2CCCCCC2CO)C1
InChIInChI=1S/C12H24N2O/c13-10-5-6-11(8-10)14-7-3-1-2-4-12(14)9-15/h10-12,15H,1-9,13H2
InChIKeyKWAVFAPPEQECJR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds2

About [1-(3-aminocyclopentyl)azepan-2-yl]methanol

[1-(3-aminocyclopentyl)azepan-2-yl]methanol (PubChem CID 116640609) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-(3-aminocyclopentyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminocyclopentyl)azepan-2-yl]methanol
PubChem CID116640609
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-(3-aminocyclopentyl)azepan-2-yl]methanol
SMILESNC1CCC(N2CCCCCC2CO)C1
InChIInChI=1S/C12H24N2O/c13-10-5-6-11(8-10)14-7-3-1-2-4-12(14)9-15/h10-12,15H,1-9,13H2
InChIKeyKWAVFAPPEQECJR-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminocyclopentyl)azepan-2-yl]methanol?
The IUPAC name of [1-(3-aminocyclopentyl)azepan-2-yl]methanol (CID 116640609) is [1-(3-aminocyclopentyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(3-aminocyclopentyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(3-aminocyclopentyl)azepan-2-yl]methanol is NC1CCC(N2CCCCCC2CO)C1.
What is the InChIKey of [1-(3-aminocyclopentyl)azepan-2-yl]methanol?
The InChIKey is KWAVFAPPEQECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-5-6-11(8-10)14-7-3-1-2-4-12(14)9-15/h10-12,15H,1-9,13H2.
What are the key properties of [1-(3-aminocyclopentyl)azepan-2-yl]methanol?
[1-(3-aminocyclopentyl)azepan-2-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminocyclopentyl)azepan-2-yl]methanol is sourced from PubChem (CID 116640609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).