N-(cyclohexylidenemethyl)-2-methylbutanamide

C12H21NO — CID 91359968

IUPACN-(cyclohexylidenemethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC=C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZTTJNYCMFSKJMG-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds3

About N-(cyclohexylidenemethyl)-2-methylbutanamide

N-(cyclohexylidenemethyl)-2-methylbutanamide (PubChem CID 91359968) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(cyclohexylidenemethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(cyclohexylidenemethyl)-2-methylbutanamide
PubChem CID91359968
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(cyclohexylidenemethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC=C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZTTJNYCMFSKJMG-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylidenemethyl)-2-methylbutanamide?
The IUPAC name of N-(cyclohexylidenemethyl)-2-methylbutanamide (CID 91359968) is N-(cyclohexylidenemethyl)-2-methylbutanamide.
What is the SMILES notation for N-(cyclohexylidenemethyl)-2-methylbutanamide?
The canonical SMILES for N-(cyclohexylidenemethyl)-2-methylbutanamide is CCC(C)C(=O)NC=C1CCCCC1.
What is the InChIKey of N-(cyclohexylidenemethyl)-2-methylbutanamide?
The InChIKey is ZTTJNYCMFSKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10(2)12(14)13-9-11-7-5-4-6-8-11/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(cyclohexylidenemethyl)-2-methylbutanamide?
N-(cyclohexylidenemethyl)-2-methylbutanamide has a molecular weight of 195.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylidenemethyl)-2-methylbutanamide is sourced from PubChem (CID 91359968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).