6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine

C16H34N2O — CID 102968223

IUPAC6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOC1CCCN(CCCCCCNCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-10-6-4-5-7-11-18-12-8-9-16(14-18)19-3/h15-17H,4-14H2,1-3H3
InChIKeySCMJYXCRAWCEHQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine

6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 102968223) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID102968223
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOC1CCCN(CCCCCCNCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-10-6-4-5-7-11-18-12-8-9-16(14-18)19-3/h15-17H,4-14H2,1-3H3
InChIKeySCMJYXCRAWCEHQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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

4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
6-(3-methoxypiperidin-1-yl)-N-methylhexan-3-amine
CID 106800149
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 115562253
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine (CID 102968223) is 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine is COC1CCCN(CCCCCCNCC(C)C)C1.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is SCMJYXCRAWCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2)13-17-10-6-4-5-7-11-18-12-8-9-16(14-18)19-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine?
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 102968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).