(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde

C9H15NO — CID 134334270

IUPAC(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCN[C@@H]1C(C=O)CC=C[C@H]1C
InChIInChI=1S/C9H15NO/c1-7-4-3-5-8(6-11)9(7)10-2/h3-4,6-10H,5H2,1-2H3/t7-,8?,9+/m1/s1
InChIKeyXIKUQKIHMWDTQB-NBXIYJJMSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds2

About (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde

(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde (PubChem CID 134334270) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde
PubChem CID134334270
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCN[C@@H]1C(C=O)CC=C[C@H]1C
InChIInChI=1S/C9H15NO/c1-7-4-3-5-8(6-11)9(7)10-2/h3-4,6-10H,5H2,1-2H3/t7-,8?,9+/m1/s1
InChIKeyXIKUQKIHMWDTQB-NBXIYJJMSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde (CID 134334270) is (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde is CN[C@@H]1C(C=O)CC=C[C@H]1C.
What is the InChIKey of (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is XIKUQKIHMWDTQB-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-3-5-8(6-11)9(7)10-2/h3-4,6-10H,5H2,1-2H3/t7-,8?,9+/m1/s1.
What are the key properties of (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde?
(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 134334270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).