N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide

C12H22N2O — CID 3453081

IUPACN-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide
SMILESCC(=NNC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)10(3)13-14-12(15)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,14,15)
InChIKeyCWQYNJAQLYVEHC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.71
Rot. Bonds3

About N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide

N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide (PubChem CID 3453081) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide
PubChem CID3453081
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide
SMILESCC(=NNC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)10(3)13-14-12(15)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,14,15)
InChIKeyCWQYNJAQLYVEHC-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
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-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide?
The IUPAC name of N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide (CID 3453081) is N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide?
The canonical SMILES for N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide is CC(=NNC(=O)C1CCCCC1)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide?
The InChIKey is CWQYNJAQLYVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10(3)13-14-12(15)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide?
N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide is sourced from PubChem (CID 3453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).