N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal

C16H34N2O — CID 171555001

IUPACN-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal
SMILESCCC=O.CNC1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C13H28N2.C3H6O/c1-12(2)6-4-5-9-15-10-7-13(14-3)8-11-15;1-2-3-4/h12-14H,4-11H2,1-3H3;3H,2H2,1H3
InChIKeyAGNRNOJDLSGPQS-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.09
Rot. Bonds7

About N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal

N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal (PubChem CID 171555001) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal.

Molecular Properties

Compound NameN-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal
PubChem CID171555001
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal
SMILESCCC=O.CNC1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C13H28N2.C3H6O/c1-12(2)6-4-5-9-15-10-7-13(14-3)8-11-15;1-2-3-4/h12-14H,4-11H2,1-3H3;3H,2H2,1H3
InChIKeyAGNRNOJDLSGPQS-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal?
The IUPAC name of N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal (CID 171555001) is N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal.
What is the SMILES notation for N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal?
The canonical SMILES for N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal is CCC=O.CNC1CCN(CCCCC(C)C)CC1.
What is the InChIKey of N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal?
The InChIKey is AGNRNOJDLSGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C3H6O/c1-12(2)6-4-5-9-15-10-7-13(14-3)8-11-15;1-2-3-4/h12-14H,4-11H2,1-3H3;3H,2H2,1H3.
What are the key properties of N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal?
N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal has a molecular weight of 270.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal is sourced from PubChem (CID 171555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).