1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde

C10H19NO — CID 12927831

IUPAC1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
SMILESCN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C10H19NO/c1-11(2)8-10(9-12)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyCKUXZQBAXOYHMS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

About 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde

1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde (PubChem CID 12927831) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
PubChem CID12927831
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde
SMILESCN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C10H19NO/c1-11(2)8-10(9-12)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyCKUXZQBAXOYHMS-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
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 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde (CID 12927831) is 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde is CN(C)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is CKUXZQBAXOYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11(2)8-10(9-12)6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde?
1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 12927831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).