4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol

C13H27NO2 — CID 115723515

IUPAC4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
SMILESCC(C)C(O)CCNC(C)C1CCOCC1
InChIInChI=1S/C13H27NO2/c1-10(2)13(15)4-7-14-11(3)12-5-8-16-9-6-12/h10-15H,4-9H2,1-3H3
InChIKeyYAOGUGPASBMRNZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds6

About 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol

4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol (PubChem CID 115723515) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
PubChem CID115723515
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
SMILESCC(C)C(O)CCNC(C)C1CCOCC1
InChIInChI=1S/C13H27NO2/c1-10(2)13(15)4-7-14-11(3)12-5-8-16-9-6-12/h10-15H,4-9H2,1-3H3
InChIKeyYAOGUGPASBMRNZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103914759
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111697237
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol (CID 115723515) is 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol is CC(C)C(O)CCNC(C)C1CCOCC1.
What is the InChIKey of 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol?
The InChIKey is YAOGUGPASBMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)13(15)4-7-14-11(3)12-5-8-16-9-6-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol?
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol is sourced from PubChem (CID 115723515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).