[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine

C12H15N — CID 129160218

IUPAC[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
SMILES[H]/N=C/[C@H]1CCC(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-5,8-10,13H,6-7H2,1H3/b13-8+/t9?,10-/m1/s1
InChIKeySCKOPJWQQJSGFX-VECZDWHJSA-N
MW173.26 g/mol
LogP3.32
Rot. Bonds1

About [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine

[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine (PubChem CID 129160218) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine.

Molecular Properties

Compound Name[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
PubChem CID129160218
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
SMILES[H]/N=C/[C@H]1CCC(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-5,8-10,13H,6-7H2,1H3/b13-8+/t9?,10-/m1/s1
InChIKeySCKOPJWQQJSGFX-VECZDWHJSA-N
XLogP3.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine?
The IUPAC name of [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine (CID 129160218) is [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine.
What is the SMILES notation for [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine?
The canonical SMILES for [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine is [H]/N=C/[C@H]1CCC(C)c2ccccc21.
What is the InChIKey of [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine?
The InChIKey is SCKOPJWQQJSGFX-VECZDWHJSA-N. The full InChI is InChI=1S/C12H15N/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-5,8-10,13H,6-7H2,1H3/b13-8+/t9?,10-/m1/s1.
What are the key properties of [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine?
[(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine has a molecular weight of 173.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine is sourced from PubChem (CID 129160218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).