(hexadecylamino)methanediol

C17H37NO2 — CID 139772673

IUPAC(hexadecylamino)methanediol
SMILESCCCCCCCCCCCCCCCCNC(O)O
InChIInChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20/h17-20H,2-16H2,1H3
InChIKeyFXMGNTJYGXZWPZ-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.33
Rot. Bonds16

About (hexadecylamino)methanediol

(hexadecylamino)methanediol (PubChem CID 139772673) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is (hexadecylamino)methanediol.

Molecular Properties

Compound Name(hexadecylamino)methanediol
PubChem CID139772673
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name(hexadecylamino)methanediol
SMILESCCCCCCCCCCCCCCCCNC(O)O
InChIInChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20/h17-20H,2-16H2,1H3
InChIKeyFXMGNTJYGXZWPZ-UHFFFAOYSA-N
XLogP4.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(hexylamino)propan-1-ol
CID 57070645
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(octylamino)dodecan-1-ol
CID 88518081
[1-(pentylamino)ethylamino]methanediol
CID 174609669
N-propan-2-ylicosan-1-amine
CID 87246132
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
2-amino-1-(pentylamino)ethanol
CID 88684452
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086

Frequently Asked Questions

What is the IUPAC name of (hexadecylamino)methanediol?
The IUPAC name of (hexadecylamino)methanediol (CID 139772673) is (hexadecylamino)methanediol.
What is the SMILES notation for (hexadecylamino)methanediol?
The canonical SMILES for (hexadecylamino)methanediol is CCCCCCCCCCCCCCCCNC(O)O.
What is the InChIKey of (hexadecylamino)methanediol?
The InChIKey is FXMGNTJYGXZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20/h17-20H,2-16H2,1H3.
What are the key properties of (hexadecylamino)methanediol?
(hexadecylamino)methanediol has a molecular weight of 287.49 g/mol, XLogP of 4.33, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hexadecylamino)methanediol is sourced from PubChem (CID 139772673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).