N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide

C14H24N2O — CID 165439183

IUPACN-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCCCC12CCNCC2
InChIInChI=1S/C14H24N2O/c1-11(2)13(17)16-12-5-3-4-6-14(12)7-9-15-10-8-14/h12,15H,1,3-10H2,2H3,(H,16,17)
InChIKeyJQQAZRPNQYTZLE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds2

About N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide

N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide (PubChem CID 165439183) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide
PubChem CID165439183
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCCCC12CCNCC2
InChIInChI=1S/C14H24N2O/c1-11(2)13(17)16-12-5-3-4-6-14(12)7-9-15-10-8-14/h12,15H,1,3-10H2,2H3,(H,16,17)
InChIKeyJQQAZRPNQYTZLE-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide (CID 165439183) is N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCCCC12CCNCC2.
What is the InChIKey of N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide?
The InChIKey is JQQAZRPNQYTZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13(17)16-12-5-3-4-6-14(12)7-9-15-10-8-14/h12,15H,1,3-10H2,2H3,(H,16,17).
What are the key properties of N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide?
N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide has a molecular weight of 236.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azaspiro[5.5]undecan-11-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 165439183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).