1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol

C16H36N2O2 — CID 54281081

IUPAC1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCCCCCCCCCCCN)C(C)O
InChIInChI=1S/C16H36N2O2/c1-15(19)18(16(2)20)14-12-10-8-6-4-3-5-7-9-11-13-17/h15-16,19-20H,3-14,17H2,1-2H3
InChIKeyRQVFXPFSMPXSOD-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.82
Rot. Bonds14

About 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol

1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol (PubChem CID 54281081) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
PubChem CID54281081
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCCCCCCCCCCCN)C(C)O
InChIInChI=1S/C16H36N2O2/c1-15(19)18(16(2)20)14-12-10-8-6-4-3-5-7-9-11-13-17/h15-16,19-20H,3-14,17H2,1-2H3
InChIKeyRQVFXPFSMPXSOD-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N',N'-bis(1-aminoethyl)butane-1,4-diamine
CID 87162655
3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
1-[1-hydroxyethyl(octyl)amino]ethanol;phosphoric acid
CID 88660637
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
N',N'-bis(1-aminopropyl)butane-1,4-diamine
CID 87162355
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
N',N'-dimethylpentane-1,5-diamine
CID 3465925

Frequently Asked Questions

What is the IUPAC name of 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol (CID 54281081) is 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol is CC(O)N(CCCCCCCCCCCCN)C(C)O.
What is the InChIKey of 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol?
The InChIKey is RQVFXPFSMPXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-15(19)18(16(2)20)14-12-10-8-6-4-3-5-7-9-11-13-17/h15-16,19-20H,3-14,17H2,1-2H3.
What are the key properties of 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol?
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol has a molecular weight of 288.48 g/mol, XLogP of 2.82, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 54281081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).