4-(2-methylpropylamino)piperidine-3-carbaldehyde

C10H20N2O — CID 170168936

IUPAC4-(2-methylpropylamino)piperidine-3-carbaldehyde
SMILESCC(C)CNC1CCNCC1C=O
InChIInChI=1S/C10H20N2O/c1-8(2)5-12-10-3-4-11-6-9(10)7-13/h7-12H,3-6H2,1-2H3
InChIKeySNCQXKUSKHJIEO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds4

About 4-(2-methylpropylamino)piperidine-3-carbaldehyde

4-(2-methylpropylamino)piperidine-3-carbaldehyde (PubChem CID 170168936) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(2-methylpropylamino)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropylamino)piperidine-3-carbaldehyde
PubChem CID170168936
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(2-methylpropylamino)piperidine-3-carbaldehyde
SMILESCC(C)CNC1CCNCC1C=O
InChIInChI=1S/C10H20N2O/c1-8(2)5-12-10-3-4-11-6-9(10)7-13/h7-12H,3-6H2,1-2H3
InChIKeySNCQXKUSKHJIEO-UHFFFAOYSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
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

(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
N-[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
CID 126694016
N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
CID 166658849
ethane;2-methylpropanal;N-methylpyrrolidin-3-amine
CID 171505368
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471
4-aminoazepane-3-carbaldehyde
CID 174422749
N-(4-methylpentan-2-yl)pyrrolidine-3-sulfonamide
CID 65420704
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
2-methyl-N-(2-piperidin-4-yloxyethyl)propan-1-amine
CID 63903400
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)piperidine-3-carbaldehyde?
The IUPAC name of 4-(2-methylpropylamino)piperidine-3-carbaldehyde (CID 170168936) is 4-(2-methylpropylamino)piperidine-3-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropylamino)piperidine-3-carbaldehyde?
The canonical SMILES for 4-(2-methylpropylamino)piperidine-3-carbaldehyde is CC(C)CNC1CCNCC1C=O.
What is the InChIKey of 4-(2-methylpropylamino)piperidine-3-carbaldehyde?
The InChIKey is SNCQXKUSKHJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)5-12-10-3-4-11-6-9(10)7-13/h7-12H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylpropylamino)piperidine-3-carbaldehyde?
4-(2-methylpropylamino)piperidine-3-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)piperidine-3-carbaldehyde is sourced from PubChem (CID 170168936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).