6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine

C13H28N2O — CID 106587405

IUPAC6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
SMILESCOCC1CCCN(CCCCCCN)C1
InChIInChI=1S/C13H28N2O/c1-16-12-13-7-6-10-15(11-13)9-5-3-2-4-8-14/h13H,2-12,14H2,1H3
InChIKeyDFWJAFZXNDSPBO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds8

About 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine

6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine (PubChem CID 106587405) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
PubChem CID106587405
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
SMILESCOCC1CCCN(CCCCCCN)C1
InChIInChI=1S/C13H28N2O/c1-16-12-13-7-6-10-15(11-13)9-5-3-2-4-8-14/h13H,2-12,14H2,1H3
InChIKeyDFWJAFZXNDSPBO-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine (CID 106587405) is 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine is COCC1CCCN(CCCCCCN)C1.
What is the InChIKey of 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The InChIKey is DFWJAFZXNDSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-16-12-13-7-6-10-15(11-13)9-5-3-2-4-8-14/h13H,2-12,14H2,1H3.
What are the key properties of 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine is sourced from PubChem (CID 106587405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).