N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane

C10H22N2 — CID 177029418

IUPACN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane
SMILESC=NC1=C(C)CCCN1.CCC.[H][H]
InChIInChI=1S/C7H12N2.C3H8.H2/c1-6-4-3-5-9-7(6)8-2;1-3-2;/h9H,2-5H2,1H3;3H2,1-2H3;1H
InChIKeyFQYQXEYYOAFGRG-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.96
Rot. Bonds1

About N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane

N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane (PubChem CID 177029418) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane
PubChem CID177029418
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane
SMILESC=NC1=C(C)CCCN1.CCC.[H][H]
InChIInChI=1S/C7H12N2.C3H8.H2/c1-6-4-3-5-9-7(6)8-2;1-3-2;/h9H,2-5H2,1H3;3H2,1-2H3;1H
InChIKeyFQYQXEYYOAFGRG-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane?
The IUPAC name of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane (CID 177029418) is N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane.
What is the SMILES notation for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane?
The canonical SMILES for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane is C=NC1=C(C)CCCN1.CCC.[H][H].
What is the InChIKey of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane?
The InChIKey is FQYQXEYYOAFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C3H8.H2/c1-6-4-3-5-9-7(6)8-2;1-3-2;/h9H,2-5H2,1H3;3H2,1-2H3;1H.
What are the key properties of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane?
N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane has a molecular weight of 170.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane is sourced from PubChem (CID 177029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).