6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol

C12H27NO2 — CID 107703685

IUPAC6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol
SMILESCCOC(C)(C)CNCCCCCCO
InChIInChI=1S/C12H27NO2/c1-4-15-12(2,3)11-13-9-7-5-6-8-10-14/h13-14H,4-11H2,1-3H3
InChIKeyBNMBYGRPQITGCQ-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.94
Rot. Bonds10

About 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol

6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol (PubChem CID 107703685) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol
PubChem CID107703685
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol
SMILESCCOC(C)(C)CNCCCCCCO
InChIInChI=1S/C12H27NO2/c1-4-15-12(2,3)11-13-9-7-5-6-8-10-14/h13-14H,4-11H2,1-3H3
InChIKeyBNMBYGRPQITGCQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
4-(13,13,13-triethoxytridecylamino)butan-1-ol
CID 151260398
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
2-[(4-hydroxybutylamino)methyl]-2-methylpropane-1,3-diol
CID 106841911
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
2-ethoxy-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 114941802
8-(undecylamino)octan-1-ol
CID 139305047
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
CID 106254985
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol (CID 107703685) is 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol is CCOC(C)(C)CNCCCCCCO.
What is the InChIKey of 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol?
The InChIKey is BNMBYGRPQITGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-15-12(2,3)11-13-9-7-5-6-8-10-14/h13-14H,4-11H2,1-3H3.
What are the key properties of 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol?
6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol is sourced from PubChem (CID 107703685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).