acetic acid;2-(22-aminodocosyl)guanidine

C25H54N4O2 — CID 172684363

IUPACacetic acid;2-(22-aminodocosyl)guanidine
SMILESCC(=O)O.NCCCCCCCCCCCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C23H50N4.C2H4O2/c24-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-23(25)26;1-2(3)4/h1-22,24H2,(H4,25,26,27);1H3,(H,3,4)
InChIKeyAVIIIAWRHXGANV-UHFFFAOYSA-N
MW442.73 g/mol
LogP6.11
Rot. Bonds22

About acetic acid;2-(22-aminodocosyl)guanidine

acetic acid;2-(22-aminodocosyl)guanidine (PubChem CID 172684363) has the molecular formula C25H54N4O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is acetic acid;2-(22-aminodocosyl)guanidine.

Molecular Properties

Compound Nameacetic acid;2-(22-aminodocosyl)guanidine
PubChem CID172684363
Molecular FormulaC25H54N4O2
Molecular Weight442.73 g/mol
Exact Mass442.42
IUPAC Nameacetic acid;2-(22-aminodocosyl)guanidine
SMILESCC(=O)O.NCCCCCCCCCCCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C23H50N4.C2H4O2/c24-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-23(25)26;1-2(3)4/h1-22,24H2,(H4,25,26,27);1H3,(H,3,4)
InChIKeyAVIIIAWRHXGANV-UHFFFAOYSA-N
XLogP6.11
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutyl)guanidine
CID 22560045
2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
CID 144969972
oxalic acid;2-tetradecylguanidine
CID 88685065
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975
acetic acid;propane-1,3-diamine
CID 158444659
acetic acid;hexan-1-amine
CID 174564294
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;5-aminopentan-1-ol
CID 71566788
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-[5-(diaminomethylideneamino)pentylamino]-1-oxohexan-2-yl]hexanamide
CID 53329971
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diaminopentanoic acid
CID 173329365
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(22-aminodocosyl)guanidine?
The IUPAC name of acetic acid;2-(22-aminodocosyl)guanidine (CID 172684363) is acetic acid;2-(22-aminodocosyl)guanidine.
What is the SMILES notation for acetic acid;2-(22-aminodocosyl)guanidine?
The canonical SMILES for acetic acid;2-(22-aminodocosyl)guanidine is CC(=O)O.NCCCCCCCCCCCCCCCCCCCCCCN=C(N)N.
What is the InChIKey of acetic acid;2-(22-aminodocosyl)guanidine?
The InChIKey is AVIIIAWRHXGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N4.C2H4O2/c24-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-23(25)26;1-2(3)4/h1-22,24H2,(H4,25,26,27);1H3,(H,3,4).
What are the key properties of acetic acid;2-(22-aminodocosyl)guanidine?
acetic acid;2-(22-aminodocosyl)guanidine has a molecular weight of 442.73 g/mol, XLogP of 6.11, 22 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(22-aminodocosyl)guanidine is sourced from PubChem (CID 172684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).