1-(ethylamino)decan-4-ol

C12H27NO — CID 159715833

IUPAC1-(ethylamino)decan-4-ol
SMILESCCCCCCC(O)CCCNCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)10-8-11-13-4-2/h12-14H,3-11H2,1-2H3
InChIKeyLVEMZNBMYZGOBB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds10

About 1-(ethylamino)decan-4-ol

1-(ethylamino)decan-4-ol (PubChem CID 159715833) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(ethylamino)decan-4-ol.

Molecular Properties

Compound Name1-(ethylamino)decan-4-ol
PubChem CID159715833
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(ethylamino)decan-4-ol
SMILESCCCCCCC(O)CCCNCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)10-8-11-13-4-2/h12-14H,3-11H2,1-2H3
InChIKeyLVEMZNBMYZGOBB-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
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
tetratetracontan-22-ol
CID 91434437
1-(ethylamino)octan-2-ol
CID 62774096
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)decan-4-ol?
The IUPAC name of 1-(ethylamino)decan-4-ol (CID 159715833) is 1-(ethylamino)decan-4-ol.
What is the SMILES notation for 1-(ethylamino)decan-4-ol?
The canonical SMILES for 1-(ethylamino)decan-4-ol is CCCCCCC(O)CCCNCC.
What is the InChIKey of 1-(ethylamino)decan-4-ol?
The InChIKey is LVEMZNBMYZGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)10-8-11-13-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(ethylamino)decan-4-ol?
1-(ethylamino)decan-4-ol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)decan-4-ol is sourced from PubChem (CID 159715833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).