N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine

C10H20N2O — CID 79507576

IUPACN-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCOCCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-2-13-9-5-8-12-10-6-3-4-7-11-10/h2-9H2,1H3,(H,11,12)
InChIKeyLIGXJHAHUAYBCQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.59
Rot. Bonds5

About N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79507576) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79507576
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCOCCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-2-13-9-5-8-12-10-6-3-4-7-11-10/h2-9H2,1H3,(H,11,12)
InChIKeyLIGXJHAHUAYBCQ-UHFFFAOYSA-N
XLogP1.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.59
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 N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79507576) is N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine is CCOCCCNC1=NCCCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is LIGXJHAHUAYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-13-9-5-8-12-10-6-3-4-7-11-10/h2-9H2,1H3,(H,11,12).
What are the key properties of N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 184.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79507576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).