2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride

C24H52Cl2N2O2 — CID 20978392

IUPAC2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(N)(CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C24H50N2O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(26,23(27)28)21-18-19-22-25;;/h2-22,25-26H2,1H3,(H,27,28);2*1H
InChIKeyFTLJZTKXLGJPSK-UHFFFAOYSA-N
MW471.60 g/mol
LogP7.39
Rot. Bonds22

About 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride

2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride (PubChem CID 20978392) has the molecular formula C24H52Cl2N2O2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
PubChem CID20978392
Molecular FormulaC24H52Cl2N2O2
Molecular Weight471.60 g/mol
Exact Mass470.34
IUPAC Name2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(N)(CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C24H50N2O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(26,23(27)28)21-18-19-22-25;;/h2-22,25-26H2,1H3,(H,27,28);2*1H
InChIKeyFTLJZTKXLGJPSK-UHFFFAOYSA-N
XLogP7.39
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-octadecylicosanoic acid
CID 18935913
decan-1-amine;2,2-dihydroxyoctadecanoic acid
CID 158461548
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123
acetic acid;hexacosan-1-amine
CID 172814522
2-amino-2-(phosphonomethyl)dodecanoic acid
CID 151787801
octan-1-amine;propanoic acid
CID 87949597
2-(6-aminohexylamino)-2-decylpropanedioic acid
CID 162477286
hexadecan-1-amine;propan-2-one
CID 175396285

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride?
The IUPAC name of 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride (CID 20978392) is 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride is CCCCCCCCCCCCCCCCCCC(N)(CCCCN)C(=O)O.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride?
The InChIKey is FTLJZTKXLGJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(26,23(27)28)21-18-19-22-25;;/h2-22,25-26H2,1H3,(H,27,28);2*1H.
What are the key properties of 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride?
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride has a molecular weight of 471.60 g/mol, XLogP of 7.39, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride is sourced from PubChem (CID 20978392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).