2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide

C12H21NO — CID 90161951

IUPAC2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide
SMILESC=C1CCC[C@@H](NC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO/c1-9-6-5-7-10(8-9)13-11(14)12(2,3)4/h10H,1,5-8H2,2-4H3,(H,13,14)/t10-/m1/s1
InChIKeyOROAQDQKEALXSR-SNVBAGLBSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds1

About 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide

2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide (PubChem CID 90161951) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide
PubChem CID90161951
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide
SMILESC=C1CCC[C@@H](NC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO/c1-9-6-5-7-10(8-9)13-11(14)12(2,3)4/h10H,1,5-8H2,2-4H3,(H,13,14)/t10-/m1/s1
InChIKeyOROAQDQKEALXSR-SNVBAGLBSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide (CID 90161951) is 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide is C=C1CCC[C@@H](NC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide?
The InChIKey is OROAQDQKEALXSR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-6-5-7-10(8-9)13-11(14)12(2,3)4/h10H,1,5-8H2,2-4H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide?
2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-3-methylidenecyclohexyl]propanamide is sourced from PubChem (CID 90161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).