2-[(dimethylamino)methyl]-2-ethylhexan-1-ol

C11H25NO — CID 18990769

IUPAC2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CN(C)C
InChIInChI=1S/C11H25NO/c1-5-7-8-11(6-2,10-13)9-12(3)4/h13H,5-10H2,1-4H3
InChIKeyNWELYEKEQJWJNH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.13
Rot. Bonds7

About 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol

2-[(dimethylamino)methyl]-2-ethylhexan-1-ol (PubChem CID 18990769) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
PubChem CID18990769
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CN(C)C
InChIInChI=1S/C11H25NO/c1-5-7-8-11(6-2,10-13)9-12(3)4/h13H,5-10H2,1-4H3
InChIKeyNWELYEKEQJWJNH-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol;hexane-1,2-diol
CID 161043370
2-butyl-2-ethylpropane-1,3-diol;1,3,5-tritert-butylbenzene
CID 141204509
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
CID 156689242
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol (CID 18990769) is 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol is CCCCC(CC)(CO)CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol?
The InChIKey is NWELYEKEQJWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-7-8-11(6-2,10-13)9-12(3)4/h13H,5-10H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol?
2-[(dimethylamino)methyl]-2-ethylhexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-ethylhexan-1-ol is sourced from PubChem (CID 18990769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).