4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C11H25NO2 — CID 64802828

IUPAC4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCOC(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C11H25NO2/c1-6-14-10(4)7-11(5,8-13)12-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyHKOBTWDKIPOZCA-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds7

About 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64802828) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64802828
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCOC(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C11H25NO2/c1-6-14-10(4)7-11(5,8-13)12-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyHKOBTWDKIPOZCA-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64804081
4-(cyclopropylmethoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64803226
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
CID 64804028
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828150
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64827562

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64802828) is 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCOC(C)CC(C)(CO)NC(C)C.
What is the InChIKey of 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is HKOBTWDKIPOZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-14-10(4)7-11(5,8-13)12-9(2)3/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64802828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).