N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine

C9H16N2 — CID 143603226

IUPACN-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine
SMILESC/C=N/C1=C(C)C[C@H](C)NC1
InChIInChI=1S/C9H16N2/c1-4-10-9-6-11-8(3)5-7(9)2/h4,8,11H,5-6H2,1-3H3/b10-4+/t8-/m0/s1
InChIKeyQGRTYEKAGFLQKB-JVVDXDAESA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds1

About N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine

N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine (PubChem CID 143603226) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine.

Molecular Properties

Compound NameN-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine
PubChem CID143603226
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine
SMILESC/C=N/C1=C(C)C[C@H](C)NC1
InChIInChI=1S/C9H16N2/c1-4-10-9-6-11-8(3)5-7(9)2/h4,8,11H,5-6H2,1-3H3/b10-4+/t8-/m0/s1
InChIKeyQGRTYEKAGFLQKB-JVVDXDAESA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
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-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine?
The IUPAC name of N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine (CID 143603226) is N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine.
What is the SMILES notation for N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine?
The canonical SMILES for N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine is C/C=N/C1=C(C)C[C@H](C)NC1.
What is the InChIKey of N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine?
The InChIKey is QGRTYEKAGFLQKB-JVVDXDAESA-N. The full InChI is InChI=1S/C9H16N2/c1-4-10-9-6-11-8(3)5-7(9)2/h4,8,11H,5-6H2,1-3H3/b10-4+/t8-/m0/s1.
What are the key properties of N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine?
N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine is sourced from PubChem (CID 143603226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).