5-(cyclohexylamino)piperidine-2-carbaldehyde

C12H22N2O — CID 175270289

IUPAC5-(cyclohexylamino)piperidine-2-carbaldehyde
SMILESO=CC1CCC(NC2CCCCC2)CN1
InChIInChI=1S/C12H22N2O/c15-9-12-7-6-11(8-13-12)14-10-4-2-1-3-5-10/h9-14H,1-8H2
InChIKeyXTTAQDYIMBPBBT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.23
Rot. Bonds3

About 5-(cyclohexylamino)piperidine-2-carbaldehyde

5-(cyclohexylamino)piperidine-2-carbaldehyde (PubChem CID 175270289) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(cyclohexylamino)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(cyclohexylamino)piperidine-2-carbaldehyde
PubChem CID175270289
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(cyclohexylamino)piperidine-2-carbaldehyde
SMILESO=CC1CCC(NC2CCCCC2)CN1
InChIInChI=1S/C12H22N2O/c15-9-12-7-6-11(8-13-12)14-10-4-2-1-3-5-10/h9-14H,1-8H2
InChIKeyXTTAQDYIMBPBBT-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropylcyclododecanamine
CID 16776852
N-cycloheptylazepan-3-amine
CID 82934093
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908
5-(cycloheptylamino)piperidin-2-one
CID 63379089
(2R)-piperidine-2-carbaldehyde;hydrochloride
CID 131884313
N-cyclopentylazepan-3-amine
CID 82934004
N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499
N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
CID 118983920
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
sodium;N-cyclohexylformamide;hydride
CID 173020638
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)piperidine-2-carbaldehyde?
The IUPAC name of 5-(cyclohexylamino)piperidine-2-carbaldehyde (CID 175270289) is 5-(cyclohexylamino)piperidine-2-carbaldehyde.
What is the SMILES notation for 5-(cyclohexylamino)piperidine-2-carbaldehyde?
The canonical SMILES for 5-(cyclohexylamino)piperidine-2-carbaldehyde is O=CC1CCC(NC2CCCCC2)CN1.
What is the InChIKey of 5-(cyclohexylamino)piperidine-2-carbaldehyde?
The InChIKey is XTTAQDYIMBPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-9-12-7-6-11(8-13-12)14-10-4-2-1-3-5-10/h9-14H,1-8H2.
What are the key properties of 5-(cyclohexylamino)piperidine-2-carbaldehyde?
5-(cyclohexylamino)piperidine-2-carbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)piperidine-2-carbaldehyde is sourced from PubChem (CID 175270289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).