2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol

C14H29NO2 — CID 61049372

IUPAC2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-4-12(3)9-14(5-2,11-16)15-10-13-7-6-8-17-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyZBMVDPPEYHDKQX-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol

2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol (PubChem CID 61049372) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol
PubChem CID61049372
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-4-12(3)9-14(5-2,11-16)15-10-13-7-6-8-17-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyZBMVDPPEYHDKQX-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol?
The IUPAC name of 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol (CID 61049372) is 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol?
The canonical SMILES for 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol is CCC(C)CC(CC)(CO)NCC1CCCO1.
What is the InChIKey of 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol?
The InChIKey is ZBMVDPPEYHDKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-12(3)9-14(5-2,11-16)15-10-13-7-6-8-17-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol?
2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 61049372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).