2-ethyl-2-(2-methyliminoethyl)pentan-1-ol

C10H21NO — CID 163575791

IUPAC2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
SMILESCCCC(CC)(CO)C/C=N/C
InChIInChI=1S/C10H21NO/c1-4-6-10(5-2,9-12)7-8-11-3/h8,12H,4-7,9H2,1-3H3/b11-8+
InChIKeyGDIWOXRTNKIKTE-DHZHZOJOSA-N
MW171.28 g/mol
LogP2.27
Rot. Bonds6

About 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol

2-ethyl-2-(2-methyliminoethyl)pentan-1-ol (PubChem CID 163575791) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
PubChem CID163575791
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
SMILESCCCC(CC)(CO)C/C=N/C
InChIInChI=1S/C10H21NO/c1-4-6-10(5-2,9-12)7-8-11-3/h8,12H,4-7,9H2,1-3H3/b11-8+
InChIKeyGDIWOXRTNKIKTE-DHZHZOJOSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-bis(sulfanylmethyl)pentan-1-ol
CID 19373302
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-ethyl-4-fluoro-2-propylhexan-1-ol
CID 168880821
2-pentyl-2-propylpropane-1,3-diol
CID 18188395

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol (CID 163575791) is 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol is CCCC(CC)(CO)C/C=N/C.
What is the InChIKey of 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol?
The InChIKey is GDIWOXRTNKIKTE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(5-2,9-12)7-8-11-3/h8,12H,4-7,9H2,1-3H3/b11-8+.
What are the key properties of 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol?
2-ethyl-2-(2-methyliminoethyl)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methyliminoethyl)pentan-1-ol is sourced from PubChem (CID 163575791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).