cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol

C21H44N2O2 — CID 174794008

IUPACcyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol
SMILESNC1CCCCCCCCC1.OCNC1(CO)CCCCCCCC1
InChIInChI=1S/C11H23NO2.C10H21N/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11;11-10-8-6-4-2-1-3-5-7-9-10/h12-14H,1-10H2;10H,1-9,11H2
InChIKeyYBOLLSQYICBNCQ-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.23
Rot. Bonds3

About cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol

cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol (PubChem CID 174794008) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol.

Molecular Properties

Compound Namecyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol
PubChem CID174794008
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC Namecyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol
SMILESNC1CCCCCCCCC1.OCNC1(CO)CCCCCCCC1
InChIInChI=1S/C11H23NO2.C10H21N/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11;11-10-8-6-4-2-1-3-5-7-9-10/h12-14H,1-10H2;10H,1-9,11H2
InChIKeyYBOLLSQYICBNCQ-UHFFFAOYSA-N
XLogP4.23
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 19798932
CID 19798932
CID 90778428
CID 90778428
CID 55198276
CID 55198276
CID 63428437
CID 63428437
CID 87201324
CID 87201324
CID 87201325
CID 87201325
CID 174794009
CID 174794009

Frequently Asked Questions

What is the IUPAC name of cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol?
The IUPAC name of cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol (CID 174794008) is cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol.
What is the SMILES notation for cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol?
The canonical SMILES for cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol is NC1CCCCCCCCC1.OCNC1(CO)CCCCCCCC1.
What is the InChIKey of cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol?
The InChIKey is YBOLLSQYICBNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C10H21N/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11;11-10-8-6-4-2-1-3-5-7-9-10/h12-14H,1-10H2;10H,1-9,11H2.
What are the key properties of cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol?
cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol has a molecular weight of 356.60 g/mol, XLogP of 4.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol is sourced from PubChem (CID 174794008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).