N-(3,3-dimethylcyclohexyl)formamide

C9H17NO — CID 23292716

IUPACN-(3,3-dimethylcyclohexyl)formamide
SMILESCC1(C)CCCC(NC=O)C1
InChIInChI=1S/C9H17NO/c1-9(2)5-3-4-8(6-9)10-7-11/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyWFDVKMFACFRYLT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)formamide

N-(3,3-dimethylcyclohexyl)formamide (PubChem CID 23292716) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)formamide
PubChem CID23292716
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,3-dimethylcyclohexyl)formamide
SMILESCC1(C)CCCC(NC=O)C1
InChIInChI=1S/C9H17NO/c1-9(2)5-3-4-8(6-9)10-7-11/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyWFDVKMFACFRYLT-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)formamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)formamide (CID 23292716) is N-(3,3-dimethylcyclohexyl)formamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)formamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)formamide is CC1(C)CCCC(NC=O)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)formamide?
The InChIKey is WFDVKMFACFRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)5-3-4-8(6-9)10-7-11/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(3,3-dimethylcyclohexyl)formamide?
N-(3,3-dimethylcyclohexyl)formamide has a molecular weight of 155.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)formamide is sourced from PubChem (CID 23292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).