10-amino-10-oxodecanoic acid;cyclohexane

C16H31NO3 — CID 67918729

IUPAC10-amino-10-oxodecanoic acid;cyclohexane
SMILESC1CCCCC1.NC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H19NO3.C6H12/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-6-5-3-1/h1-8H2,(H2,11,12)(H,13,14);1-6H2
InChIKeyRFIDPTZVHXYRMR-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.02
Rot. Bonds9

About 10-amino-10-oxodecanoic acid;cyclohexane

10-amino-10-oxodecanoic acid;cyclohexane (PubChem CID 67918729) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 10-amino-10-oxodecanoic acid;cyclohexane.

Molecular Properties

Compound Name10-amino-10-oxodecanoic acid;cyclohexane
PubChem CID67918729
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name10-amino-10-oxodecanoic acid;cyclohexane
SMILESC1CCCCC1.NC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H19NO3.C6H12/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-6-5-3-1/h1-8H2,(H2,11,12)(H,13,14);1-6H2
InChIKeyRFIDPTZVHXYRMR-UHFFFAOYSA-N
XLogP4.02
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

34-amino-34-oxotetratriacontanoic acid
CID 139682719
24-amino-24-oxotetracosanoic acid
CID 139682769
cyclohexane;hexanediamide
CID 22340258
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
nonatetracontanediamide
CID 162734608
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
docosanediamide;hexacosanediamide
CID 129179979
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
dodecanediamide;nonanediamide
CID 175017820

Frequently Asked Questions

What is the IUPAC name of 10-amino-10-oxodecanoic acid;cyclohexane?
The IUPAC name of 10-amino-10-oxodecanoic acid;cyclohexane (CID 67918729) is 10-amino-10-oxodecanoic acid;cyclohexane.
What is the SMILES notation for 10-amino-10-oxodecanoic acid;cyclohexane?
The canonical SMILES for 10-amino-10-oxodecanoic acid;cyclohexane is C1CCCCC1.NC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-amino-10-oxodecanoic acid;cyclohexane?
The InChIKey is RFIDPTZVHXYRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C6H12/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-6-5-3-1/h1-8H2,(H2,11,12)(H,13,14);1-6H2.
What are the key properties of 10-amino-10-oxodecanoic acid;cyclohexane?
10-amino-10-oxodecanoic acid;cyclohexane has a molecular weight of 285.43 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-10-oxodecanoic acid;cyclohexane is sourced from PubChem (CID 67918729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).