1-(ethylamino)dodecane-2,2-diol

C14H31NO2 — CID 87485005

IUPAC1-(ethylamino)dodecane-2,2-diol
SMILESCCCCCCCCCCC(O)(O)CNCC
InChIInChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-11-12-14(16,17)13-15-4-2/h15-17H,3-13H2,1-2H3
InChIKeyHGFOBXZGDXTSQT-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.81
Rot. Bonds12

About 1-(ethylamino)dodecane-2,2-diol

1-(ethylamino)dodecane-2,2-diol (PubChem CID 87485005) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(ethylamino)dodecane-2,2-diol.

Molecular Properties

Compound Name1-(ethylamino)dodecane-2,2-diol
PubChem CID87485005
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-(ethylamino)dodecane-2,2-diol
SMILESCCCCCCCCCCC(O)(O)CNCC
InChIInChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-11-12-14(16,17)13-15-4-2/h15-17H,3-13H2,1-2H3
InChIKeyHGFOBXZGDXTSQT-UHFFFAOYSA-N
XLogP2.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

docosane-10,10-diol
CID 20528880
nonane-3,3-diol
CID 22472104
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
N-ethyl-2-methyl-2-propylnonan-1-amine
CID 63509075
CID 162309133
CID 162309133
octane-3,3-diol
CID 157318438
1-aminooctadecane-2,2-diol
CID 87604063
9-ethylheptadecan-9-ol
CID 86166082
tritriacontane-15,15,16,16-tetrol
CID 19863089
triacontane-1,1,1-triol
CID 87376487

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)dodecane-2,2-diol?
The IUPAC name of 1-(ethylamino)dodecane-2,2-diol (CID 87485005) is 1-(ethylamino)dodecane-2,2-diol.
What is the SMILES notation for 1-(ethylamino)dodecane-2,2-diol?
The canonical SMILES for 1-(ethylamino)dodecane-2,2-diol is CCCCCCCCCCC(O)(O)CNCC.
What is the InChIKey of 1-(ethylamino)dodecane-2,2-diol?
The InChIKey is HGFOBXZGDXTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-11-12-14(16,17)13-15-4-2/h15-17H,3-13H2,1-2H3.
What are the key properties of 1-(ethylamino)dodecane-2,2-diol?
1-(ethylamino)dodecane-2,2-diol has a molecular weight of 245.41 g/mol, XLogP of 2.81, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)dodecane-2,2-diol is sourced from PubChem (CID 87485005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).