formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)

C18H45N3O12 — CID 160506836

IUPACformaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CCC(O)NCO.CCC(O)NCO.CCC(O)NCO
InChIInChI=1S/3C4H11NO2.6CH2O/c3*1-2-4(7)5-3-6;6*1-2/h3*4-7H,2-3H2,1H3;6*1H2
InChIKeyQSNFVTDAJMUCNT-UHFFFAOYSA-N
MW495.57 g/mol
LogP-3.35
Rot. Bonds9

About formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)

formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) (PubChem CID 160506836) has the molecular formula C18H45N3O12 and a molecular weight of 495.57 g/mol. Its IUPAC name is formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol).

Molecular Properties

Compound Nameformaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)
PubChem CID160506836
Molecular FormulaC18H45N3O12
Molecular Weight495.57 g/mol
Exact Mass495.30
IUPAC Nameformaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CCC(O)NCO.CCC(O)NCO.CCC(O)NCO
InChIInChI=1S/3C4H11NO2.6CH2O/c3*1-2-4(7)5-3-6;6*1-2/h3*4-7H,2-3H2,1H3;6*1H2
InChIKeyQSNFVTDAJMUCNT-UHFFFAOYSA-N
XLogP-3.35
TPSA259.89 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500495.57
LogP ≤ 5-3.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) 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

1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
CID 87634862
(1S)-1-(butylamino)propan-1-ol
CID 153016894
1-(2-sulfanylethylamino)propan-1-ol
CID 90755386
1-(hexylamino)propan-1-ol
CID 57070645
(butan-2-ylamino)methanol;ethane
CID 143420847
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
1-(propan-2-ylamino)propan-1-ol
CID 20572331
2-(1-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 87771236
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
ethane;2-(hydroxymethyl)-2-(1-hydroxypropylamino)propane-1,3-diol
CID 156729791
1-(ethylamino)propan-1-ol;octadecanoic acid
CID 175333337
N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480

Frequently Asked Questions

What is the IUPAC name of formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)?
The IUPAC name of formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) (CID 160506836) is formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol).
What is the SMILES notation for formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)?
The canonical SMILES for formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) is C=O.C=O.C=O.C=O.C=O.C=O.CCC(O)NCO.CCC(O)NCO.CCC(O)NCO.
What is the InChIKey of formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)?
The InChIKey is QSNFVTDAJMUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H11NO2.6CH2O/c3*1-2-4(7)5-3-6;6*1-2/h3*4-7H,2-3H2,1H3;6*1H2.
What are the key properties of formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)?
formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) has a molecular weight of 495.57 g/mol, XLogP of -3.35, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol) is sourced from PubChem (CID 160506836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).