formaldehyde;methanol;18-(pentylamino)nonadecanoic acid

C26H55NO4 — CID 145026869

IUPACformaldehyde;methanol;18-(pentylamino)nonadecanoic acid
SMILESC=O.CCCCCNC(C)CCCCCCCCCCCCCCCCC(=O)O.CO
InChIInChI=1S/C24H49NO2.CH4O.CH2O/c1-3-4-19-22-25-23(2)20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-24(26)27;2*1-2/h23,25H,3-22H2,1-2H3,(H,26,27);2H,1H3;1H2
InChIKeyRRXIIGMLTNZKNB-UHFFFAOYSA-N
MW445.73 g/mol
LogP6.90
Rot. Bonds22

About formaldehyde;methanol;18-(pentylamino)nonadecanoic acid

formaldehyde;methanol;18-(pentylamino)nonadecanoic acid (PubChem CID 145026869) has the molecular formula C26H55NO4 and a molecular weight of 445.73 g/mol. Its IUPAC name is formaldehyde;methanol;18-(pentylamino)nonadecanoic acid.

Molecular Properties

Compound Nameformaldehyde;methanol;18-(pentylamino)nonadecanoic acid
PubChem CID145026869
Molecular FormulaC26H55NO4
Molecular Weight445.73 g/mol
Exact Mass445.41
IUPAC Nameformaldehyde;methanol;18-(pentylamino)nonadecanoic acid
SMILESC=O.CCCCCNC(C)CCCCCCCCCCCCCCCCC(=O)O.CO
InChIInChI=1S/C24H49NO2.CH4O.CH2O/c1-3-4-19-22-25-23(2)20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-24(26)27;2*1-2/h23,25H,3-22H2,1-2H3,(H,26,27);2H,1H3;1H2
InChIKeyRRXIIGMLTNZKNB-UHFFFAOYSA-N
XLogP6.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 56.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-hydroxydecylamino)hexanoic acid
CID 57248490
6-(1-hydroxyoctylamino)hexanoic acid
CID 57164493
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
(10R)-10-(2-hydroxyethylamino)undecanoic acid
CID 102119671
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
7-(hexan-2-ylamino)heptan-2-one
CID 155112417
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
N-butylundecan-2-amine
CID 90035852

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;18-(pentylamino)nonadecanoic acid?
The IUPAC name of formaldehyde;methanol;18-(pentylamino)nonadecanoic acid (CID 145026869) is formaldehyde;methanol;18-(pentylamino)nonadecanoic acid.
What is the SMILES notation for formaldehyde;methanol;18-(pentylamino)nonadecanoic acid?
The canonical SMILES for formaldehyde;methanol;18-(pentylamino)nonadecanoic acid is C=O.CCCCCNC(C)CCCCCCCCCCCCCCCCC(=O)O.CO.
What is the InChIKey of formaldehyde;methanol;18-(pentylamino)nonadecanoic acid?
The InChIKey is RRXIIGMLTNZKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2.CH4O.CH2O/c1-3-4-19-22-25-23(2)20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-24(26)27;2*1-2/h23,25H,3-22H2,1-2H3,(H,26,27);2H,1H3;1H2.
What are the key properties of formaldehyde;methanol;18-(pentylamino)nonadecanoic acid?
formaldehyde;methanol;18-(pentylamino)nonadecanoic acid has a molecular weight of 445.73 g/mol, XLogP of 6.90, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;18-(pentylamino)nonadecanoic acid is sourced from PubChem (CID 145026869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).