formaldehyde;hexane-1,6-diamine;phenol

C13H24N2O2 — CID 159665484

IUPACformaldehyde;hexane-1,6-diamine;phenol
SMILESC=O.NCCCCCCN.Oc1ccccc1
InChIInChI=1S/C6H16N2.C6H6O.CH2O/c7-5-3-1-2-4-6-8;7-6-4-2-1-3-5-6;1-2/h1-8H2;1-5,7H;1H2
InChIKeyMTIRGZRMVORJLJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.67
Rot. Bonds5

About formaldehyde;hexane-1,6-diamine;phenol

formaldehyde;hexane-1,6-diamine;phenol (PubChem CID 159665484) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is formaldehyde;hexane-1,6-diamine;phenol.

Molecular Properties

Compound Nameformaldehyde;hexane-1,6-diamine;phenol
PubChem CID159665484
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameformaldehyde;hexane-1,6-diamine;phenol
SMILESC=O.NCCCCCCN.Oc1ccccc1
InChIInChI=1S/C6H16N2.C6H6O.CH2O/c7-5-3-1-2-4-6-8;7-6-4-2-1-3-5-6;1-2/h1-8H2;1-5,7H;1H2
InChIKeyMTIRGZRMVORJLJ-UHFFFAOYSA-N
XLogP1.67
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.67
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

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CID 141080591
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Frequently Asked Questions

What is the IUPAC name of formaldehyde;hexane-1,6-diamine;phenol?
The IUPAC name of formaldehyde;hexane-1,6-diamine;phenol (CID 159665484) is formaldehyde;hexane-1,6-diamine;phenol.
What is the SMILES notation for formaldehyde;hexane-1,6-diamine;phenol?
The canonical SMILES for formaldehyde;hexane-1,6-diamine;phenol is C=O.NCCCCCCN.Oc1ccccc1.
What is the InChIKey of formaldehyde;hexane-1,6-diamine;phenol?
The InChIKey is MTIRGZRMVORJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H6O.CH2O/c7-5-3-1-2-4-6-8;7-6-4-2-1-3-5-6;1-2/h1-8H2;1-5,7H;1H2.
What are the key properties of formaldehyde;hexane-1,6-diamine;phenol?
formaldehyde;hexane-1,6-diamine;phenol has a molecular weight of 240.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;hexane-1,6-diamine;phenol is sourced from PubChem (CID 159665484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).