6-(dimethylamino)-2-ethylhexan-1-ol

C10H23NO — CID 23505017

IUPAC6-(dimethylamino)-2-ethylhexan-1-ol
SMILESCCC(CO)CCCCN(C)C
InChIInChI=1S/C10H23NO/c1-4-10(9-12)7-5-6-8-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyZFEGYSWTKIATCT-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.74
Rot. Bonds7

About 6-(dimethylamino)-2-ethylhexan-1-ol

6-(dimethylamino)-2-ethylhexan-1-ol (PubChem CID 23505017) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 6-(dimethylamino)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name6-(dimethylamino)-2-ethylhexan-1-ol
PubChem CID23505017
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name6-(dimethylamino)-2-ethylhexan-1-ol
SMILESCCC(CO)CCCCN(C)C
InChIInChI=1S/C10H23NO/c1-4-10(9-12)7-5-6-8-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyZFEGYSWTKIATCT-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Dimethylaminohexan-1-ol
CID 74623
2-((Dimethylamino)methyl)cyclohexanol
CID 368214
2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
(1-Methylazepan-3-yl)methanol
CID 22636120
rac-[(1R,2S)-2-(dimethylamino)cyclopentyl]methanol
CID 130605905
rac-[(1R,2S)-2-(dimethylamino)cyclohexyl]methanol
CID 138039890
rac-((1R,2R)-2-(dimethylamino)cyclohexyl)methanol
CID 138040143
6-Hydroxyhexyl(trimethyl)azanium
CID 3026664
Heptanol, (dimethylamino)-
CID 10000013
4-(Dimethylamino)-2-ethylbutan-1-ol
CID 117866045
5-Dimethylamino-3-methyl-pentanol
CID 11147796

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-ethylhexan-1-ol?
The IUPAC name of 6-(dimethylamino)-2-ethylhexan-1-ol (CID 23505017) is 6-(dimethylamino)-2-ethylhexan-1-ol.
What is the SMILES notation for 6-(dimethylamino)-2-ethylhexan-1-ol?
The canonical SMILES for 6-(dimethylamino)-2-ethylhexan-1-ol is CCC(CO)CCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-2-ethylhexan-1-ol?
The InChIKey is ZFEGYSWTKIATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(9-12)7-5-6-8-11(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-(dimethylamino)-2-ethylhexan-1-ol?
6-(dimethylamino)-2-ethylhexan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-ethylhexan-1-ol is sourced from PubChem (CID 23505017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).