4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol

C14H19NO2 — CID 13339036

IUPAC4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
SMILESNCC1(O)CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C14H19NO2/c15-10-14(16)9-13(7-3-4-8-13)17-12-6-2-1-5-11(12)14/h1-2,5-6,16H,3-4,7-10,15H2
InChIKeyFPIULXBOQBEGLR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds1

About 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol

4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol (PubChem CID 13339036) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
PubChem CID13339036
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
SMILESNCC1(O)CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C14H19NO2/c15-10-14(16)9-13(7-3-4-8-13)17-12-6-2-1-5-11(12)14/h1-2,5-6,16H,3-4,7-10,15H2
InChIKeyFPIULXBOQBEGLR-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol (CID 13339036) is 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol is NCC1(O)CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The InChIKey is FPIULXBOQBEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-10-14(16)9-13(7-3-4-8-13)17-12-6-2-1-5-11(12)14/h1-2,5-6,16H,3-4,7-10,15H2.
What are the key properties of 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol?
4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol has a molecular weight of 233.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 13339036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).