1-(2-aminocyclopentyl)-4-methylazepan-4-ol

C12H24N2O — CID 107407606

IUPAC1-(2-aminocyclopentyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C2CCCC2N)CC1
InChIInChI=1S/C12H24N2O/c1-12(15)6-3-8-14(9-7-12)11-5-2-4-10(11)13/h10-11,15H,2-9,13H2,1H3
InChIKeyIKRPFHMOVSGALF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds1

About 1-(2-aminocyclopentyl)-4-methylazepan-4-ol

1-(2-aminocyclopentyl)-4-methylazepan-4-ol (PubChem CID 107407606) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-4-methylazepan-4-ol
PubChem CID107407606
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-aminocyclopentyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C2CCCC2N)CC1
InChIInChI=1S/C12H24N2O/c1-12(15)6-3-8-14(9-7-12)11-5-2-4-10(11)13/h10-11,15H,2-9,13H2,1H3
InChIKeyIKRPFHMOVSGALF-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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-(2-aminocyclopentyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(2-aminocyclopentyl)-4-methylazepan-4-ol (CID 107407606) is 1-(2-aminocyclopentyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(2-aminocyclopentyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(2-aminocyclopentyl)-4-methylazepan-4-ol is CC1(O)CCCN(C2CCCC2N)CC1.
What is the InChIKey of 1-(2-aminocyclopentyl)-4-methylazepan-4-ol?
The InChIKey is IKRPFHMOVSGALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(15)6-3-8-14(9-7-12)11-5-2-4-10(11)13/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 1-(2-aminocyclopentyl)-4-methylazepan-4-ol?
1-(2-aminocyclopentyl)-4-methylazepan-4-ol has a molecular weight of 212.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107407606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).