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

C9H18N2O — CID 20729987

IUPACN-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOCCCNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-12-8-4-7-11-9-5-2-3-6-10-9/h2-8H2,1H3,(H,10,11)
InChIKeyVQXUUXCJALISHQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.19
Rot. Bonds4

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

N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 20729987) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID20729987
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOCCCNC1=NCCCC1
InChIInChI=1S/C9H18N2O/c1-12-8-4-7-11-9-5-2-3-6-10-9/h2-8H2,1H3,(H,10,11)
InChIKeyVQXUUXCJALISHQ-UHFFFAOYSA-N
XLogP1.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.19
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-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 20729987) is N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine is COCCCNC1=NCCCC1.
What is the InChIKey of N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is VQXUUXCJALISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-8-4-7-11-9-5-2-3-6-10-9/h2-8H2,1H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 170.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 20729987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).