1-(3-methoxypropyl)-5-methylpiperidin-3-amine

C10H22N2O — CID 79993292

IUPAC1-(3-methoxypropyl)-5-methylpiperidin-3-amine
SMILESCOCCCN1CC(C)CC(N)C1
InChIInChI=1S/C10H22N2O/c1-9-6-10(11)8-12(7-9)4-3-5-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyDNKWFBIKIFUIOR-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds4

About 1-(3-methoxypropyl)-5-methylpiperidin-3-amine

1-(3-methoxypropyl)-5-methylpiperidin-3-amine (PubChem CID 79993292) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methylpiperidin-3-amine
PubChem CID79993292
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-methoxypropyl)-5-methylpiperidin-3-amine
SMILESCOCCCN1CC(C)CC(N)C1
InChIInChI=1S/C10H22N2O/c1-9-6-10(11)8-12(7-9)4-3-5-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyDNKWFBIKIFUIOR-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-5-methylpiperidin-3-amine (CID 79993292) is 1-(3-methoxypropyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-5-methylpiperidin-3-amine is COCCCN1CC(C)CC(N)C1.
What is the InChIKey of 1-(3-methoxypropyl)-5-methylpiperidin-3-amine?
The InChIKey is DNKWFBIKIFUIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9-6-10(11)8-12(7-9)4-3-5-13-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-5-methylpiperidin-3-amine?
1-(3-methoxypropyl)-5-methylpiperidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79993292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).