1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol

C20H41NO — CID 122612860

IUPAC1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol
SMILESCCCCCCCCCCC(O)CC1(N(C)C)CCCCC1
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-12-15-19(22)18-20(21(2)3)16-13-11-14-17-20/h19,22H,4-18H2,1-3H3
InChIKeyUMLLGCCKHPTBMK-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.53
Rot. Bonds12

About 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol

1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol (PubChem CID 122612860) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol
PubChem CID122612860
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol
SMILESCCCCCCCCCCC(O)CC1(N(C)C)CCCCC1
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-12-15-19(22)18-20(21(2)3)16-13-11-14-17-20/h19,22H,4-18H2,1-3H3
InChIKeyUMLLGCCKHPTBMK-UHFFFAOYSA-N
XLogP5.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.53
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

1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-butyl-N,N-dimethylcyclohexan-1-amine
CID 21197213
tetratetracontan-22-ol
CID 91434437
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol (CID 122612860) is 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol is CCCCCCCCCCC(O)CC1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol?
The InChIKey is UMLLGCCKHPTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-12-15-19(22)18-20(21(2)3)16-13-11-14-17-20/h19,22H,4-18H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol?
1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol has a molecular weight of 311.55 g/mol, XLogP of 5.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]dodecan-2-ol is sourced from PubChem (CID 122612860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).