N-tert-butyl-4-methylcyclohexane-1-carboxamide

C12H23NO — CID 79005587

IUPACN-tert-butyl-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHLFPYDNXLLTHBH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-4-methylcyclohexane-1-carboxamide

N-tert-butyl-4-methylcyclohexane-1-carboxamide (PubChem CID 79005587) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-tert-butyl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylcyclohexane-1-carboxamide
PubChem CID79005587
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-tert-butyl-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHLFPYDNXLLTHBH-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Cyclohexyl-2-ethyl-3,4-dihydro-2H-pyrrol-5-ol
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2-Pyrrolidinone, 5-cyclohexyl-5-propyl-
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N-(tert-butyl)bicyclo[4.1.0]heptane-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-methylcyclohexane-1-carboxamide (CID 79005587) is N-tert-butyl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-methylcyclohexane-1-carboxamide?
The InChIKey is HLFPYDNXLLTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-4-methylcyclohexane-1-carboxamide?
N-tert-butyl-4-methylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79005587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).