N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide

C19H36N3O+ — CID 6945486

IUPACN-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C19H35N3O/c23-19(17-22-15-11-8-12-16-22)21-20-18-13-9-6-4-2-1-3-5-7-10-14-18/h1-17H2,(H,21,23)/p+1
InChIKeyDIJOGBXAZCTUAP-UHFFFAOYSA-O
MW322.52 g/mol
LogP2.83
Rot. Bonds3

About N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide

N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 6945486) has the molecular formula C19H36N3O+ and a molecular weight of 322.52 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide
PubChem CID6945486
Molecular FormulaC19H36N3O+
Molecular Weight322.52 g/mol
Exact Mass322.29
IUPAC NameN-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C19H35N3O/c23-19(17-22-15-11-8-12-16-22)21-20-18-13-9-6-4-2-1-3-5-7-10-14-18/h1-17H2,(H,21,23)/p+1
InChIKeyDIJOGBXAZCTUAP-UHFFFAOYSA-O
XLogP2.83
TPSA45.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide (CID 6945486) is N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide is O=C(C[NH+]1CCCCC1)NN=C1CCCCCCCCCCC1.
What is the InChIKey of N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is DIJOGBXAZCTUAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H35N3O/c23-19(17-22-15-11-8-12-16-22)21-20-18-13-9-6-4-2-1-3-5-7-10-14-18/h1-17H2,(H,21,23)/p+1.
What are the key properties of N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide?
N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 322.52 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 6945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).