N-methyl-2-piperidin-1-ylethanamine;propanal

C11H24N2O — CID 168913727

IUPACN-methyl-2-piperidin-1-ylethanamine;propanal
SMILESCCC=O.CNCCN1CCCCC1
InChIInChI=1S/C8H18N2.C3H6O/c1-9-5-8-10-6-3-2-4-7-10;1-2-3-4/h9H,2-8H2,1H3;3H,2H2,1H3
InChIKeyBXJLLNJQZNFDGD-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.29
Rot. Bonds4

About N-methyl-2-piperidin-1-ylethanamine;propanal

N-methyl-2-piperidin-1-ylethanamine;propanal (PubChem CID 168913727) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-methyl-2-piperidin-1-ylethanamine;propanal.

Molecular Properties

Compound NameN-methyl-2-piperidin-1-ylethanamine;propanal
PubChem CID168913727
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-methyl-2-piperidin-1-ylethanamine;propanal
SMILESCCC=O.CNCCN1CCCCC1
InChIInChI=1S/C8H18N2.C3H6O/c1-9-5-8-10-6-3-2-4-7-10;1-2-3-4/h9H,2-8H2,1H3;3H,2H2,1H3
InChIKeyBXJLLNJQZNFDGD-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-1-ylethanamine;propanal?
The IUPAC name of N-methyl-2-piperidin-1-ylethanamine;propanal (CID 168913727) is N-methyl-2-piperidin-1-ylethanamine;propanal.
What is the SMILES notation for N-methyl-2-piperidin-1-ylethanamine;propanal?
The canonical SMILES for N-methyl-2-piperidin-1-ylethanamine;propanal is CCC=O.CNCCN1CCCCC1.
What is the InChIKey of N-methyl-2-piperidin-1-ylethanamine;propanal?
The InChIKey is BXJLLNJQZNFDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C3H6O/c1-9-5-8-10-6-3-2-4-7-10;1-2-3-4/h9H,2-8H2,1H3;3H,2H2,1H3.
What are the key properties of N-methyl-2-piperidin-1-ylethanamine;propanal?
N-methyl-2-piperidin-1-ylethanamine;propanal has a molecular weight of 200.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-1-ylethanamine;propanal is sourced from PubChem (CID 168913727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).