2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol

C12H27NO — CID 62270220

IUPAC2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
SMILESCCN(CC(CC)(CC)CO)C(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-14)9-13(8-3)11(4)5/h11,14H,6-10H2,1-5H3
InChIKeyUGXQICPKDUFUQU-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol (PubChem CID 62270220) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
PubChem CID62270220
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
SMILESCCN(CC(CC)(CC)CO)C(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-14)9-13(8-3)11(4)5/h11,14H,6-10H2,1-5H3
InChIKeyUGXQICPKDUFUQU-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol (CID 62270220) is 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol is CCN(CC(CC)(CC)CO)C(C)C.
What is the InChIKey of 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol?
The InChIKey is UGXQICPKDUFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(7-2,10-14)9-13(8-3)11(4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 62270220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).