propyl 11-amino-3-iminoundecanoate

C14H28N2O2 — CID 87523049

IUPACpropyl 11-amino-3-iminoundecanoate
SMILES[H]/N=C(\CCCCCCCCN)CC(=O)OCCC
InChIInChI=1S/C14H28N2O2/c1-2-11-18-14(17)12-13(16)9-7-5-3-4-6-8-10-15/h16H,2-12,15H2,1H3/b16-13+
InChIKeyFPAWTNGPOSJNAY-DTQAZKPQSA-N
MW256.39 g/mol
LogP3.04
Rot. Bonds12

About propyl 11-amino-3-iminoundecanoate

propyl 11-amino-3-iminoundecanoate (PubChem CID 87523049) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is propyl 11-amino-3-iminoundecanoate.

Molecular Properties

Compound Namepropyl 11-amino-3-iminoundecanoate
PubChem CID87523049
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namepropyl 11-amino-3-iminoundecanoate
SMILES[H]/N=C(\CCCCCCCCN)CC(=O)OCCC
InChIInChI=1S/C14H28N2O2/c1-2-11-18-14(17)12-13(16)9-7-5-3-4-6-8-10-15/h16H,2-12,15H2,1H3/b16-13+
InChIKeyFPAWTNGPOSJNAY-DTQAZKPQSA-N
XLogP3.04
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 11-amino-3-iminoundecanoate?
The IUPAC name of propyl 11-amino-3-iminoundecanoate (CID 87523049) is propyl 11-amino-3-iminoundecanoate.
What is the SMILES notation for propyl 11-amino-3-iminoundecanoate?
The canonical SMILES for propyl 11-amino-3-iminoundecanoate is [H]/N=C(\CCCCCCCCN)CC(=O)OCCC.
What is the InChIKey of propyl 11-amino-3-iminoundecanoate?
The InChIKey is FPAWTNGPOSJNAY-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-11-18-14(17)12-13(16)9-7-5-3-4-6-8-10-15/h16H,2-12,15H2,1H3/b16-13+.
What are the key properties of propyl 11-amino-3-iminoundecanoate?
propyl 11-amino-3-iminoundecanoate has a molecular weight of 256.39 g/mol, XLogP of 3.04, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 11-amino-3-iminoundecanoate is sourced from PubChem (CID 87523049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).