2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine

C108H247N11O — CID 159970402

IUPAC2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine
SMILESCCCCC(CC)CN.CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCN.CCCCCCCCCCCCCN.CCCCCCCCCCCCN.CCCCCCCCCCCN.CCCCCCCCCCN.CCN.NCCNCCO
InChIInChI=1S/C18H39N.C16H35N.C14H31N.C13H29N.C12H27N.C11H25N.C10H23N.C8H19N.C4H12N2O.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11;1-3-5-6-8(4-2)7-9;5-1-2-6-3-4-7;1-2-3/h2-19H2,1H3;2-17H2,1H3;2-15H2,1H3;2-14H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;8H,3-7,9H2,1-2H3;6-7H,1-5H2;2-3H2,1H3
InChIKeyOELWAHCALKQCQU-UHFFFAOYSA-N
MW1716.24 g/mol
LogP31.62
Rot. Bonds89

About 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine

2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine (PubChem CID 159970402) has the molecular formula C108H247N11O and a molecular weight of 1716.24 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine
PubChem CID159970402
Molecular FormulaC108H247N11O
Molecular Weight1716.24 g/mol
Exact Mass1714.96
IUPAC Name2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine
SMILESCCCCC(CC)CN.CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCN.CCCCCCCCCCCCCN.CCCCCCCCCCCCN.CCCCCCCCCCCN.CCCCCCCCCCN.CCN.NCCNCCO
InChIInChI=1S/C18H39N.C16H35N.C14H31N.C13H29N.C12H27N.C11H25N.C10H23N.C8H19N.C4H12N2O.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11;1-3-5-6-8(4-2)7-9;5-1-2-6-3-4-7;1-2-3/h2-19H2,1H3;2-17H2,1H3;2-15H2,1H3;2-14H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;8H,3-7,9H2,1-2H3;6-7H,1-5H2;2-3H2,1H3
InChIKeyOELWAHCALKQCQU-UHFFFAOYSA-N
XLogP31.62
TPSA292.46 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds89
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.24
LogP ≤ 531.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylundecane-1,11-diamine
CID 118354607
(2S)-2-ethylhexan-1-amine
CID 6999997
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
2-aminoethanol;N-octyloctan-1-amine
CID 158421885
5-hexyldodecan-1-amine
CID 129015386
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine?
The IUPAC name of 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine (CID 159970402) is 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine is CCCCC(CC)CN.CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCN.CCCCCCCCCCCCCN.CCCCCCCCCCCCN.CCCCCCCCCCCN.CCCCCCCCCCN.CCN.NCCNCCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine?
The InChIKey is OELWAHCALKQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C16H35N.C14H31N.C13H29N.C12H27N.C11H25N.C10H23N.C8H19N.C4H12N2O.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11;1-3-5-6-8(4-2)7-9;5-1-2-6-3-4-7;1-2-3/h2-19H2,1H3;2-17H2,1H3;2-15H2,1H3;2-14H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;8H,3-7,9H2,1-2H3;6-7H,1-5H2;2-3H2,1H3.
What are the key properties of 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine?
2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine has a molecular weight of 1716.24 g/mol, XLogP of 31.62, 89 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine is sourced from PubChem (CID 159970402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).