cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde

C8H14NO+ — CID 59007436

IUPACcis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde
SMILESCN[C@@H]1CCC[CH+][C@H]1C=O
InChIInChI=1S/C8H14NO/c1-9-8-5-3-2-4-7(8)6-10/h4,6-9H,2-3,5H2,1H3/q+1/t7-,8+/m0/s1
InChIKeyZONIFLFMHKHIRT-JGVFFNPUSA-N
MW140.21 g/mol
LogP0.78
Rot. Bonds2

About cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde

cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde (PubChem CID 59007436) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde
PubChem CID59007436
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Namecis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde
SMILESCN[C@@H]1CCC[CH+][C@H]1C=O
InChIInChI=1S/C8H14NO/c1-9-8-5-3-2-4-7(8)6-10/h4,6-9H,2-3,5H2,1H3/q+1/t7-,8+/m0/s1
InChIKeyZONIFLFMHKHIRT-JGVFFNPUSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde (CID 59007436) is cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde is CN[C@@H]1CCC[CH+][C@H]1C=O.
What is the InChIKey of cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde?
The InChIKey is ZONIFLFMHKHIRT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14NO/c1-9-8-5-3-2-4-7(8)6-10/h4,6-9H,2-3,5H2,1H3/q+1/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde?
cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde has a molecular weight of 140.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(methylamino)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 59007436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).