17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol

C28H58N2O2 — CID 87201325

IUPAC17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol
SMILESNC1(CO)CCCCCCCCC1NCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H58N2O2/c29-28(26-32)23-19-15-11-10-14-18-22-27(28)30-24-20-16-12-8-6-4-2-1-3-5-7-9-13-17-21-25-31/h27,30-32H,1-26,29H2
InChIKeyCUYMXFSNDSVNIA-UHFFFAOYSA-N
MW454.78 g/mol
LogP6.61
Rot. Bonds19

About 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol

17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol (PubChem CID 87201325) has the molecular formula C28H58N2O2 and a molecular weight of 454.78 g/mol. Its IUPAC name is 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol.

Molecular Properties

Compound Name17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol
PubChem CID87201325
Molecular FormulaC28H58N2O2
Molecular Weight454.78 g/mol
Exact Mass454.45
IUPAC Name17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol
SMILESNC1(CO)CCCCCCCCC1NCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H58N2O2/c29-28(26-32)23-19-15-11-10-14-18-22-27(28)30-24-20-16-12-8-6-4-2-1-3-5-7-9-13-17-21-25-31/h27,30-32H,1-26,29H2
InChIKeyCUYMXFSNDSVNIA-UHFFFAOYSA-N
XLogP6.61
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol?
The IUPAC name of 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol (CID 87201325) is 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol.
What is the SMILES notation for 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol?
The canonical SMILES for 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol is NC1(CO)CCCCCCCCC1NCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol?
The InChIKey is CUYMXFSNDSVNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O2/c29-28(26-32)23-19-15-11-10-14-18-22-27(28)30-24-20-16-12-8-6-4-2-1-3-5-7-9-13-17-21-25-31/h27,30-32H,1-26,29H2.
What are the key properties of 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol?
17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol has a molecular weight of 454.78 g/mol, XLogP of 6.61, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[[2-amino-2-(hydroxymethyl)cyclodecyl]amino]heptadecan-1-ol is sourced from PubChem (CID 87201325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).