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

C11H20N2 — CID 126545166

IUPACN-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine
SMILESC/C=N/C1=C(C)[C@H](C(C)C)NCC1
InChIInChI=1S/C11H20N2/c1-5-12-10-6-7-13-11(8(2)3)9(10)4/h5,8,11,13H,6-7H2,1-4H3/b12-5+/t11-/m0/s1
InChIKeyBIOBMOJTFVAONI-FIJZOYEMSA-N
MW180.30 g/mol
LogP2.37
Rot. Bonds2

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

N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine (PubChem CID 126545166) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine
PubChem CID126545166
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine
SMILESC/C=N/C1=C(C)[C@H](C(C)C)NCC1
InChIInChI=1S/C11H20N2/c1-5-12-10-6-7-13-11(8(2)3)9(10)4/h5,8,11,13H,6-7H2,1-4H3/b12-5+/t11-/m0/s1
InChIKeyBIOBMOJTFVAONI-FIJZOYEMSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine?
The IUPAC name of N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine (CID 126545166) is N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine.
What is the SMILES notation for N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine?
The canonical SMILES for N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine is C/C=N/C1=C(C)[C@H](C(C)C)NCC1.
What is the InChIKey of N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine?
The InChIKey is BIOBMOJTFVAONI-FIJZOYEMSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-12-10-6-7-13-11(8(2)3)9(10)4/h5,8,11,13H,6-7H2,1-4H3/b12-5+/t11-/m0/s1.
What are the key properties of N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine?
N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine has a molecular weight of 180.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine is sourced from PubChem (CID 126545166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).