2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine

C9H16N2 — CID 131966479

IUPAC2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
SMILES[H]/N=C(/C1=CCCNC1)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10)8-4-3-5-11-6-8/h4,7,10-11H,3,5-6H2,1-2H3/b10-9+
InChIKeyGTXOXPNNNGQGCH-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine

2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine (PubChem CID 131966479) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
PubChem CID131966479
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
SMILES[H]/N=C(/C1=CCCNC1)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10)8-4-3-5-11-6-8/h4,7,10-11H,3,5-6H2,1-2H3/b10-9+
InChIKeyGTXOXPNNNGQGCH-MDZDMXLPSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The IUPAC name of 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine (CID 131966479) is 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The canonical SMILES for 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine is [H]/N=C(/C1=CCCNC1)C(C)C.
What is the InChIKey of 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The InChIKey is GTXOXPNNNGQGCH-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(10)8-4-3-5-11-6-8/h4,7,10-11H,3,5-6H2,1-2H3/b10-9+.
What are the key properties of 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine has a molecular weight of 152.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine is sourced from PubChem (CID 131966479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).