N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide

C15H29NO — CID 2317143

IUPACN-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyPMNNKFLZAAUISV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.90
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide

N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide (PubChem CID 2317143) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide
PubChem CID2317143
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyPMNNKFLZAAUISV-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide (CID 2317143) is N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide is CC(C)(C)CC(C)(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide?
The InChIKey is PMNNKFLZAAUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)11-15(4,5)16-13(17)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide?
N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2317143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).