N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide

C11H22N2O — CID 21409886

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide
SMILESCN(C=O)CC1(N(C)C)CCCCC1
InChIInChI=1S/C11H22N2O/c1-12(2)11(9-13(3)10-14)7-5-4-6-8-11/h10H,4-9H2,1-3H3
InChIKeyXBRUOBNCHXVHQM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide (PubChem CID 21409886) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide
PubChem CID21409886
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide
SMILESCN(C=O)CC1(N(C)C)CCCCC1
InChIInChI=1S/C11H22N2O/c1-12(2)11(9-13(3)10-14)7-5-4-6-8-11/h10H,4-9H2,1-3H3
InChIKeyXBRUOBNCHXVHQM-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide (CID 21409886) is N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide is CN(C=O)CC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide?
The InChIKey is XBRUOBNCHXVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)11(9-13(3)10-14)7-5-4-6-8-11/h10H,4-9H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide has a molecular weight of 198.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-N-methylformamide is sourced from PubChem (CID 21409886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).