3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol

C13H27NO2 — CID 65105246

IUPAC3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
SMILESCCC1CC(NCC(O)(CC)CC)CCO1
InChIInChI=1S/C13H27NO2/c1-4-12-9-11(7-8-16-12)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyCZBJAUFBEVWDEZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds6

About 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol

3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol (PubChem CID 65105246) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
PubChem CID65105246
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
SMILESCCC1CC(NCC(O)(CC)CC)CCO1
InChIInChI=1S/C13H27NO2/c1-4-12-9-11(7-8-16-12)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyCZBJAUFBEVWDEZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol 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

3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106173039
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106127626
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
2-ethyl-N-pent-3-ynyloxan-4-amine
CID 116642789
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105869
2-ethyl-N-(3-methylcyclopentyl)oxan-4-amine
CID 114543810
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol (CID 65105246) is 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol is CCC1CC(NCC(O)(CC)CC)CCO1.
What is the InChIKey of 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is CZBJAUFBEVWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-12-9-11(7-8-16-12)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol?
3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).