N,2,9,9-tetramethyl-6-methylideneundecanamide

C16H31NO — CID 18716551

IUPACN,2,9,9-tetramethyl-6-methylideneundecanamide
SMILESC=C(CCCC(C)C(=O)NC)CCC(C)(C)CC
InChIInChI=1S/C16H31NO/c1-7-16(4,5)12-11-13(2)9-8-10-14(3)15(18)17-6/h14H,2,7-12H2,1,3-6H3,(H,17,18)
InChIKeyPKTLUSAKWIHLJM-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.31
Rot. Bonds9

About N,2,9,9-tetramethyl-6-methylideneundecanamide

N,2,9,9-tetramethyl-6-methylideneundecanamide (PubChem CID 18716551) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N,2,9,9-tetramethyl-6-methylideneundecanamide.

Molecular Properties

Compound NameN,2,9,9-tetramethyl-6-methylideneundecanamide
PubChem CID18716551
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN,2,9,9-tetramethyl-6-methylideneundecanamide
SMILESC=C(CCCC(C)C(=O)NC)CCC(C)(C)CC
InChIInChI=1S/C16H31NO/c1-7-16(4,5)12-11-13(2)9-8-10-14(3)15(18)17-6/h14H,2,7-12H2,1,3-6H3,(H,17,18)
InChIKeyPKTLUSAKWIHLJM-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,9,9-tetramethyl-6-methylideneundecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,9,9-tetramethyl-6-methylideneundecanamide?
The IUPAC name of N,2,9,9-tetramethyl-6-methylideneundecanamide (CID 18716551) is N,2,9,9-tetramethyl-6-methylideneundecanamide.
What is the SMILES notation for N,2,9,9-tetramethyl-6-methylideneundecanamide?
The canonical SMILES for N,2,9,9-tetramethyl-6-methylideneundecanamide is C=C(CCCC(C)C(=O)NC)CCC(C)(C)CC.
What is the InChIKey of N,2,9,9-tetramethyl-6-methylideneundecanamide?
The InChIKey is PKTLUSAKWIHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-16(4,5)12-11-13(2)9-8-10-14(3)15(18)17-6/h14H,2,7-12H2,1,3-6H3,(H,17,18).
What are the key properties of N,2,9,9-tetramethyl-6-methylideneundecanamide?
N,2,9,9-tetramethyl-6-methylideneundecanamide has a molecular weight of 253.43 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,9,9-tetramethyl-6-methylideneundecanamide is sourced from PubChem (CID 18716551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).