N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine

C15H32N2 — CID 106623723

IUPACN-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
SMILESCCCCCCCCN(C)CC1CCCNC1
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-12-17(2)14-15-10-9-11-16-13-15/h15-16H,3-14H2,1-2H3
InChIKeyPJSHNLCMEOBTKF-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds9

About N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine

N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine (PubChem CID 106623723) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
PubChem CID106623723
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
SMILESCCCCCCCCN(C)CC1CCCNC1
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-12-17(2)14-15-10-9-11-16-13-15/h15-16H,3-14H2,1-2H3
InChIKeyPJSHNLCMEOBTKF-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
CID 115741609
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
N-methyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 54596082
(3S)-3-heptylpiperidine
CID 155456188
N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
CID 122555830
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106636578
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine (CID 106623723) is N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine is CCCCCCCCN(C)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The InChIKey is PJSHNLCMEOBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-4-5-6-7-8-12-17(2)14-15-10-9-11-16-13-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine is sourced from PubChem (CID 106623723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).