2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol

C11H23NO3 — CID 103376940

IUPAC2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
SMILESCCCC1CC(CN)(OCCO)CCO1
InChIInChI=1S/C11H23NO3/c1-2-3-10-8-11(9-12,4-6-14-10)15-7-5-13/h10,13H,2-9,12H2,1H3
InChIKeyGMPMOBXCSHNXEE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds6

About 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol

2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol (PubChem CID 103376940) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
PubChem CID103376940
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
SMILESCCCC1CC(CN)(OCCO)CCO1
InChIInChI=1S/C11H23NO3/c1-2-3-10-8-11(9-12,4-6-14-10)15-7-5-13/h10,13H,2-9,12H2,1H3
InChIKeyGMPMOBXCSHNXEE-UHFFFAOYSA-N
XLogP0.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
CID 103377627
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
CID 81358520
(4-propoxyoxan-4-yl)methanamine
CID 65051760
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684
4-[1-(aminomethyl)-3-methylcyclopentyl]-2-propyloxan-4-ol
CID 79123923
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
CID 116641218

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol?
The IUPAC name of 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol (CID 103376940) is 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol?
The canonical SMILES for 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol is CCCC1CC(CN)(OCCO)CCO1.
What is the InChIKey of 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol?
The InChIKey is GMPMOBXCSHNXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-10-8-11(9-12,4-6-14-10)15-7-5-13/h10,13H,2-9,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol?
2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol has a molecular weight of 217.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol is sourced from PubChem (CID 103376940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).